diff --git a/src/plot.F90 b/src/plot.F90 index 92898ee48..3c8882f16 100644 --- a/src/plot.F90 +++ b/src/plot.F90 @@ -47,10 +47,14 @@ subroutine plot_main( ) if (timing_level>0) call io_stopwatch('plot: main',1) - write(stdout,'(1x,a)') '*---------------------------------------------------------------------------*' - write(stdout,'(1x,a)') '| PLOTTING |' - write(stdout,'(1x,a)') '*---------------------------------------------------------------------------*' - write(stdout,*) + ! Print the header only if there is something to plot + if(bands_plot .or. dos_plot .or. fermi_surface_plot .or. write_hr .or. & + wannier_plot .or. write_u_matrices) then + write(stdout,'(1x,a)') '*---------------------------------------------------------------------------*' + write(stdout,'(1x,a)') '| PLOTTING |' + write(stdout,'(1x,a)') '*---------------------------------------------------------------------------*' + write(stdout,*) + end if if(bands_plot .or. dos_plot .or. fermi_surface_plot .or. write_hr) then ! Check if the kmesh includes the gamma point diff --git a/src/wannier_prog.F90 b/src/wannier_prog.F90 index a724b32ab..140252577 100644 --- a/src/wannier_prog.F90 +++ b/src/wannier_prog.F90 @@ -242,12 +242,14 @@ program wannier 2002 continue if (on_root) then + ! I call the routine always; the if statements to decide if/what + ! to plot are inside the function time2=io_time() - if (wannier_plot .or. bands_plot .or. fermi_surface_plot .or. write_hr) then - call plot_main() - time1=io_time() - write(stdout,'(1x,a25,f11.3,a)') 'Time for plotting ',time1-time2,' (sec)' - end if + call plot_main() + time1=io_time() + ! Now time is always printed, even if no plotting is done/required, but + ! it shouldn't be a problem. + write(stdout,'(1x,a25,f11.3,a)') 'Time for plotting ',time1-time2,' (sec)' endif 3003 continue diff --git a/test-suite/tests/jobconfig b/test-suite/tests/jobconfig index 3c8b64481..f77cff877 100644 --- a/test-suite/tests/jobconfig +++ b/test-suite/tests/jobconfig @@ -102,6 +102,11 @@ program = WANNIER90_WOUT_OK inputs_args = ('gaas2.win', '') output = gaas2.wout +[testw90_write_u_matrices] +program = WANNIER90_UMAT +inputs_args = ('gaas.win', '') +output = gaas_u.mat + # Benzene, valence and conduction [testw90_benzene_gamma_valcond/] program = WANNIER90_WOUT_OK diff --git a/test-suite/tests/testw90_write_u_matrices/.gitignore b/test-suite/tests/testw90_write_u_matrices/.gitignore new file mode 100644 index 000000000..3be22f433 --- /dev/null +++ b/test-suite/tests/testw90_write_u_matrices/.gitignore @@ -0,0 +1 @@ +gaas.wout \ No newline at end of file diff --git a/test-suite/tests/testw90_write_u_matrices/benchmark.out.default.inp=gaas.win b/test-suite/tests/testw90_write_u_matrices/benchmark.out.default.inp=gaas.win new file mode 100644 index 000000000..e36d472fd --- /dev/null +++ b/test-suite/tests/testw90_write_u_matrices/benchmark.out.default.inp=gaas.win @@ -0,0 +1,146 @@ + written on 24May2018 at 11:39:22 + 8 4 4 + + 0.0000000000 +0.0000000000 +0.0000000000 + -0.4061849906 -0.2915711806 + +0.3529114575 -0.3857843212 + +0.1346072780 -0.4491959940 + -0.1518991556 +0.4833781613 + -0.4061849906 -0.2915711806 + -0.7651166579 +0.1348383284 + +0.2962575867 +0.0457811999 + -0.2351893789 +0.0351653953 + -0.4061849906 -0.2915711806 + +0.1821455114 +0.0732825179 + -0.0019866248 -0.2592303017 + +0.3515831812 -0.7215522544 + -0.4061849906 -0.2915711806 + +0.2300596890 +0.1776634749 + -0.4288782399 +0.6626450958 + +0.0355053533 +0.2030086978 + + 0.0000000000 +0.0000000000 +0.5000000000 + -0.1057132567 +0.5246202143 + -0.0427931934 +0.2123685807 + -0.2677342524 -0.1689351101 + -0.1897175166 -0.7283222015 + -0.1057132567 +0.5246202143 + -0.0427931934 +0.2123685807 + +0.7091062705 +0.3909547503 + +0.0064929377 +0.1046288142 + -0.0741199852 +0.3678331716 + +0.1831007316 -0.9086688658 + -0.0000000000 +0.0000000000 + +0.0000000000 -0.0000000000 + -0.1057132567 +0.5246202143 + -0.0427931934 +0.2123685807 + -0.4413720181 -0.2220196402 + +0.1832245788 +0.6236933873 + + 0.0000000000 +0.5000000000 +0.0000000000 + -0.0165918202 -0.3748596082 + +0.0409872506 +0.9260264742 + -0.0000000000 +0.0000000000 + +0.0000000000 -0.0000000000 + -0.0236640002 -0.5346416342 + -0.0095792918 -0.2164252957 + -0.3107782122 +0.7226193256 + -0.0048615116 -0.2188178363 + -0.0236640002 -0.5346416342 + -0.0095792918 -0.2164252957 + +0.1990785780 -0.1768648475 + +0.4206171353 +0.6471741942 + -0.0236640002 -0.5346416342 + -0.0095792918 -0.2164252957 + +0.1116996343 -0.5457544781 + -0.4157556237 -0.4283563579 + + 0.0000000000 +0.5000000000 +0.5000000000 + 0.4795086321 +0.1416738216 + +0.4227012575 +0.2670648740 + -0.4467842443 +0.1850911269 + +0.1572281390 +0.4913292441 + +0.4795086321 +0.1416738216 + -0.4227012575 -0.2670648740 + -0.4456619355 -0.2598279297 + +0.2773909718 -0.3961428214 + +0.4795086321 +0.1416738216 + +0.4227012575 +0.2670648740 + +0.4467842443 -0.1850911269 + -0.1572281390 -0.4913292441 + +0.4795086321 +0.1416738216 + -0.4227012575 -0.2670648740 + +0.4456619355 +0.2598279297 + -0.2773909718 +0.3961428214 + + 0.5000000000 +0.0000000000 +0.0000000000 + -0.5016658951 -0.1863678931 + +0.2030765708 +0.0754425466 + +0.0667343881 +0.4896170170 + -0.0536231650 -0.6477753630 + -0.5016658951 -0.1863678931 + +0.2030765708 +0.0754425466 + -0.0824525790 -0.8055730746 + +0.0120769711 -0.1037998419 + -0.5016658951 -0.1863678931 + +0.2030765708 +0.0754425466 + +0.0157181909 +0.3159560576 + +0.0415461939 +0.7515752049 + -0.3517389385 -0.1306703237 + -0.8689108187 -0.3227986598 + -0.0000000000 -0.0000000000 + +0.0000000000 +0.0000000000 + + 0.5000000000 +0.0000000000 +0.5000000000 + -0.1354779321 +0.4812958860 + -0.4999902325 +0.0031252907 + -0.1317886266 -0.6902445689 + +0.0418866180 +0.0666311058 + -0.1354779321 +0.4812958860 + -0.4999902325 +0.0031252907 + +0.1317886266 +0.6902445689 + -0.0418866180 -0.0666311058 + -0.1354779321 +0.4812958860 + +0.4999902325 -0.0031252907 + -0.0757650264 -0.0213038449 + -0.6993108833 +0.0690658780 + -0.1354779321 +0.4812958860 + +0.4999902325 -0.0031252907 + +0.0757650264 +0.0213038449 + +0.6993108833 -0.0690658780 + + 0.5000000000 +0.5000000000 +0.0000000000 + 0.4595043957 +0.1971185186 + -0.2983112338 -0.4012610220 + -0.6384297422 +0.3007600988 + +0.0100645131 -0.0430061951 + +0.4595043957 +0.1971185186 + +0.2983112338 +0.4012610220 + +0.0441660736 -0.0004303241 + +0.4329158459 -0.5573446359 + +0.4595043957 +0.1971185186 + +0.2983112338 +0.4012610220 + -0.0441660736 +0.0004303241 + -0.4329158459 +0.5573446359 + +0.4595043957 +0.1971185186 + -0.2983112338 -0.4012610220 + +0.6384297422 -0.3007600988 + -0.0100645131 +0.0430061951 + + 0.5000000000 +0.5000000000 +0.5000000000 + -0.2804138398 +0.4558176613 + -0.1135127613 +0.1845170032 + +0.2696754754 +0.6633844965 + +0.3920008996 -0.0140751259 + -0.1966098699 +0.3195928244 + +0.4856910177 -0.7894993483 + -0.0000000000 -0.0000000000 + -0.0000000000 -0.0000000000 + -0.2804138398 +0.4558176613 + -0.1135127613 +0.1845170032 + +0.1502710963 -0.1470031483 + -0.6912892398 +0.3802558686 + -0.2804138398 +0.4558176613 + -0.1135127613 +0.1845170032 + -0.4199465717 -0.5163813481 + +0.2992883402 -0.3661807427 diff --git a/test-suite/tests/testw90_write_u_matrices/gaas.amn b/test-suite/tests/testw90_write_u_matrices/gaas.amn new file mode 100644 index 000000000..551754e41 --- /dev/null +++ b/test-suite/tests/testw90_write_u_matrices/gaas.amn @@ -0,0 +1,130 @@ +File Created on 18th April 2006 + 4 8 4 + 1 1 1 -0.209928418260 -0.150692610940 + 2 1 1 0.160646512091 -0.175610352974 + 3 1 1 0.061273697004 -0.204475565040 + 4 1 1 -0.069145019308 0.220035405420 + 1 2 1 -0.209928418260 -0.150692610940 + 2 2 1 -0.348283740362 0.061378871928 + 3 2 1 0.134857474790 0.020839760039 + 4 2 1 -0.107059016071 0.016007409171 + 1 3 1 -0.209928418260 -0.150692610940 + 2 3 1 0.082913264736 0.033358454797 + 3 3 1 -0.000904318480 -0.118002527025 + 4 3 1 0.160041876148 -0.328453073700 + 1 4 1 -0.209928418260 -0.150692610940 + 2 4 1 0.104723963534 0.080873026250 + 3 4 1 -0.195226853315 0.301638332027 + 4 4 1 0.016162159232 0.092410259109 + 1 1 2 -0.054941593517 0.272657105324 + 2 1 2 -0.007353885715 0.036494922400 + 3 1 2 -0.113932544031 -0.071889221101 + 4 1 2 -0.080733037019 -0.309932705847 + 1 2 2 -0.054941593517 0.272657105324 + 2 2 2 -0.007353885715 0.036494922400 + 3 2 2 0.301755493239 0.166368213620 + 4 2 2 0.002763026801 0.044524101334 + 1 3 2 -0.048592587475 0.241149071095 + 2 3 2 0.065721947819 -0.326156467280 + 3 3 2 0.000000000000 0.000000000000 + 4 3 2 0.000000000000 0.000000000000 + 1 4 2 -0.054941593517 0.272657105324 + 2 4 2 -0.007353885715 0.036494922400 + 3 4 2 -0.187822949209 -0.094478992519 + 4 4 2 0.077970010218 0.265408604513 + 1 1 3 -0.010877491031 -0.245755557896 + 2 1 3 0.014711912529 0.332386785543 + 3 1 3 0.000000000000 0.000000000000 + 4 1 3 0.000000000000 0.000000000000 + 1 2 3 -0.012298721302 -0.277865466073 + 2 2 3 -0.001646173417 -0.037192057071 + 3 2 3 -0.132249617046 0.307505884615 + 4 2 3 -0.002068784172 -0.093116486028 + 1 3 3 -0.012298721302 -0.277865466073 + 2 3 3 -0.001646173417 -0.037192057071 + 3 3 3 0.084716574906 -0.075263668510 + 4 3 3 0.178990845817 0.275400706920 + 1 4 3 -0.012298721302 -0.277865466073 + 2 4 3 -0.001646173417 -0.037192057071 + 3 4 3 0.047533042140 -0.232242216105 + 4 4 3 -0.176922061645 -0.182284220893 + 1 1 4 0.270641227466 0.079962641751 + 2 1 4 0.129207612438 0.081634048001 + 3 1 4 -0.178415523603 0.073912924977 + 4 1 4 0.062786324954 0.196203795171 + 1 2 4 0.270641227466 0.079962641751 + 2 2 4 -0.129207612438 -0.081634048001 + 3 2 4 -0.177967349101 -0.103757768358 + 4 2 4 0.110771264007 -0.158192751450 + 1 3 4 0.270641227466 0.079962641751 + 2 3 4 0.129207612438 0.081634048001 + 3 3 4 0.178415523603 -0.073912924977 + 4 3 4 -0.062786324954 -0.196203795171 + 1 4 4 0.270641227466 0.079962641751 + 2 4 4 -0.129207612438 -0.081634048001 + 3 4 4 0.177967349101 0.103757768358 + 4 4 4 -0.110771264007 0.158192751450 + 1 1 5 -0.260727221467 -0.096859649843 + 2 1 5 0.034898117559 0.012964582018 + 3 1 5 0.028398378399 0.208353290054 + 4 1 5 -0.022818983958 -0.275656530340 + 1 2 5 -0.260727221467 -0.096859649843 + 2 2 5 0.034898117559 0.012964582018 + 3 2 5 -0.035087150812 -0.342806305004 + 4 2 5 0.005139275353 -0.044171337611 + 1 3 5 -0.260727221467 -0.096859649843 + 2 3 5 0.034898117559 0.012964582018 + 3 3 5 0.006688772413 0.134453014950 + 4 3 5 0.017679708605 0.319827867951 + 1 4 5 -0.230597794954 -0.085666627167 + 2 4 5 -0.311885763534 -0.115864947584 + 3 4 5 0.000000000000 0.000000000000 + 4 4 5 0.000000000000 0.000000000000 + 1 1 6 -0.076465597008 0.271649978013 + 2 1 6 -0.152832628339 0.000955311434 + 3 1 6 -0.052627497762 -0.275637173317 + 4 1 6 0.016726692963 0.026607974166 + 1 2 6 -0.076465597008 0.271649978013 + 2 2 6 -0.152832628339 0.000955311434 + 3 2 6 0.052627497762 0.275637173317 + 4 2 6 -0.016726692963 -0.026607974166 + 1 3 6 -0.076465597008 0.271649978013 + 2 3 6 0.152832628339 -0.000955311434 + 3 3 6 -0.030255446607 -0.008507320222 + 4 3 6 -0.279257648412 0.027580258121 + 1 4 6 -0.076465597008 0.271649978013 + 2 4 6 0.152832628339 -0.000955311434 + 3 4 6 0.030255446607 0.008507320222 + 4 4 6 0.279257648412 -0.027580258121 + 1 1 7 0.259350562921 0.111256386750 + 2 1 7 -0.091185161150 -0.122653949349 + 3 1 7 -0.254945822731 0.120103318765 + 4 1 7 0.004019088390 -0.017173776631 + 1 2 7 0.259350562921 0.111256386750 + 2 2 7 0.091185161150 0.122653949349 + 3 2 7 0.017636953972 -0.000171842460 + 4 2 7 0.172877419714 -0.222565894645 + 1 3 7 0.259350562921 0.111256386750 + 2 3 7 0.091185161150 0.122653949349 + 3 3 7 -0.017636953972 0.000171842460 + 4 3 7 -0.172877419714 0.222565894645 + 1 4 7 0.259350562921 0.111256386750 + 2 4 7 -0.091185161150 -0.122653949349 + 3 4 7 0.254945822731 -0.120103318765 + 4 4 7 -0.004019088390 0.017173776631 + 1 1 8 -0.145737475942 0.236898847375 + 2 1 8 -0.019506837605 0.031708709888 + 3 1 8 0.114758618676 0.282298894048 + 4 1 8 0.166813395585 -0.005989576941 + 1 2 8 -0.128896171275 0.209523008470 + 2 2 8 0.174333327012 -0.283381909561 + 3 2 8 0.000000000000 0.000000000000 + 4 2 8 0.000000000000 0.000000000000 + 1 3 8 -0.145737475942 0.236898847375 + 2 3 8 -0.019506837605 0.031708709888 + 3 3 8 0.063946873231 -0.062556219535 + 4 3 8 -0.294173573400 0.161815375149 + 1 4 8 -0.145737475942 0.236898847375 + 2 4 8 -0.019506837605 0.031708709888 + 3 4 8 -0.178705491908 -0.219742674513 + 4 4 8 0.127360177815 -0.155825798208 diff --git a/test-suite/tests/testw90_write_u_matrices/gaas.mmn b/test-suite/tests/testw90_write_u_matrices/gaas.mmn new file mode 100644 index 000000000..c65edbdf4 --- /dev/null +++ b/test-suite/tests/testw90_write_u_matrices/gaas.mmn @@ -0,0 +1,1090 @@ +File Created on 18th April 2006 + 4 8 8 + 1 2 0 0 0 + 0.206384385759 0.772956865871 + -0.063973518345 0.075953657854 + 0.124879039918 0.039976458934 + 0.291207243624 0.282871999322 + -0.543988659725 0.183455490856 + 0.106675355421 0.048245874683 + 0.005341858630 -0.154496235765 + 0.227632185752 -0.421041749656 + 0.000000000000 0.000000000000 + -0.172900587908 0.674119726681 + 0.042257438821 -0.368539043468 + -0.226664952807 0.046662008635 + 0.000000000000 0.000000000000 + 0.395342741632 0.012134757266 + 0.689793278751 0.039287992945 + -0.203688667713 -0.014232284650 + 1 3 0 0 0 + -0.014276117565 -0.799908134507 + -0.070365675944 -0.254924561886 + -0.156234425266 -0.178456981171 + 0.166227823503 0.195056525481 + 0.572152288232 -0.047131073664 + -0.266687656378 0.161521815426 + -0.152413310078 0.234445132573 + 0.168044804611 -0.251102545955 + 0.000000000000 0.000000000000 + 0.535460182435 0.320990555305 + -0.495266520311 -0.081145804823 + 0.183450148252 -0.014594948910 + 0.000000000000 0.000000000000 + -0.161903481093 -0.115367395643 + -0.435408512859 -0.189704577838 + -0.602325625884 -0.218188331698 + 1 5 0 0 0 + 0.731227692592 -0.324596507636 + 0.100493908695 0.107315074425 + -0.267736157035 0.296156322906 + 0.001305387974 0.104231547565 + -0.266181318433 -0.508652223775 + -0.089557344550 0.148406443334 + -0.421806942632 -0.208873368544 + -0.117841827844 0.034880043369 + 0.000000000000 0.000000000000 + -0.556417996903 -0.489338423569 + -0.166185198295 0.263700010079 + -0.105767731372 -0.134528704260 + 0.000000000000 0.000000000000 + 0.196407468018 -0.108471033645 + 0.123359976186 0.044486086273 + -0.770042405913 0.122430468603 + 1 8 0 0 0 + 0.548690947229 -0.582232836254 + 0.371941556872 0.126786229563 + -0.120126931093 -0.092517953999 + 0.112799458346 0.041757021996 + -0.391617822160 -0.419779776075 + -0.263031843746 0.381375152366 + 0.143462310771 -0.106649293050 + -0.083521498840 0.114600961538 + 0.000000000000 0.000000000000 + 0.092481047795 0.332356105048 + -0.115421512499 0.683137321080 + -0.156789336887 -0.227811621412 + 0.000000000000 0.000000000000 + -0.096024831514 0.060297418821 + 0.292289851039 0.170657228987 + 0.734477897299 -0.092852061611 + 1 2 0 0 -1 + -0.716027503526 0.356877353411 + 0.032427779585 0.093861644467 + 0.098333538059 -0.086737576474 + 0.392149256209 -0.105058020132 + 0.222520709422 0.529210839754 + -0.116885369661 0.006716117741 + 0.066902561348 0.139361650407 + -0.006458744648 0.478592573658 + 0.000000000000 0.000000000000 + -0.695541722633 0.023531495401 + 0.365560690436 -0.063024592851 + -0.108485879475 -0.204414182080 + 0.000000000000 0.000000000000 + 0.099466343657 0.382817949128 + 0.156163582776 0.673031387986 + -0.043588548103 -0.199478494468 + 1 3 0 -1 0 + 0.780874132204 -0.174047179920 + -0.254958213175 -0.070243648388 + -0.233311705437 0.042681821340 + 0.252687143534 -0.042754472660 + -0.088604715713 -0.567211409783 + 0.161394146982 -0.266764938182 + 0.026333791964 -0.278389778326 + -0.032459843006 0.300396244207 + 0.000000000000 0.000000000000 + -0.157559910568 0.604092226526 + -0.061320767485 -0.498109758242 + 0.065565744742 0.171953780255 + 0.000000000000 0.000000000000 + 0.065213877222 -0.187801819440 + 0.059685497793 -0.471175170479 + 0.040108706488 -0.639369689108 + 1 5 -1 0 0 + 0.464348835281 0.651488288733 + 0.143655287769 -0.031284328020 + 0.117065544521 0.381689501647 + 0.090167839335 0.052303731179 + -0.487953334726 0.302458463536 + 0.010536631440 -0.173014362941 + 0.470572613037 -0.010516501299 + 0.088235833816 -0.085543856857 + 0.000000000000 0.000000000000 + 0.313231848733 -0.671519835149 + -0.299777639951 -0.085373192708 + 0.099379921028 -0.139314093206 + 0.000000000000 0.000000000000 + 0.159299599617 0.158004734725 + -0.008022359035 0.130890554862 + -0.333917770947 -0.704594527932 + 1 8 -1 -1 -1 + -0.460665928705 -0.654097648149 + 0.081775835543 0.384353980669 + 0.017868942358 -0.150568098497 + 0.021961347931 0.118258470674 + 0.447141425420 -0.360061279101 + 0.409880870565 -0.215940801175 + -0.176558873481 0.027972674436 + 0.127137841492 -0.062810750789 + 0.000000000000 0.000000000000 + 0.344951657068 0.004656076726 + 0.623162256443 0.302766456439 + -0.262695095710 0.086442568809 + 0.000000000000 0.000000000000 + 0.030878980370 0.109101033703 + 0.245927184658 -0.232544762727 + 0.117317263893 -0.730969183044 + 2 1 0 0 0 + 0.206384385759 -0.772956865871 + -0.543988659725 -0.183455490856 + 0.000000000000 0.000000000000 + 0.000000000000 0.000000000000 + -0.063973518345 -0.075953657854 + 0.106675355421 -0.048245874683 + -0.172900587908 -0.674119726681 + 0.395342741632 -0.012134757266 + 0.124879039918 -0.039976458934 + 0.005341858630 0.154496235765 + 0.042257438821 0.368539043468 + 0.689793278751 -0.039287992945 + 0.291207243624 -0.282871999322 + 0.227632185752 0.421041749656 + -0.226664952807 -0.046662008635 + -0.203688667713 0.014232284650 + 2 4 0 0 0 + 0.603165553800 0.488184739868 + 0.007843844063 -0.249805043068 + 0.106247416293 0.145390863956 + -0.052101700502 0.424926400986 + 0.012927571877 -0.391074221279 + -0.403866424907 -0.423340496200 + -0.080173606366 0.164652967170 + -0.406767323805 0.155238326008 + -0.294271856913 0.036220354238 + -0.046707450713 -0.366770500998 + -0.403126001523 0.300063091158 + 0.343735397474 0.082795004011 + -0.064541542698 -0.309619604565 + 0.385761063120 -0.082104603092 + 0.354450855427 0.448789131958 + -0.030472144916 -0.092342140647 + 2 6 0 0 0 + 0.495923019591 -0.596819389908 + -0.249683107459 -0.011064867000 + 0.212205826253 -0.184253536255 + -0.367763756688 -0.038382172809 + 0.221832459488 -0.322329844385 + -0.111723288955 -0.574319746826 + -0.228432088409 0.171774299375 + 0.370350631039 0.065190348067 + 0.033985003523 -0.034252955152 + 0.042891679440 0.042200367060 + 0.081918470900 -0.632369937123 + 0.420040931110 -0.290447462328 + 0.393945169405 -0.174403865205 + 0.219545449977 0.490340879666 + -0.123739434912 0.142514371823 + 0.101465590904 0.027324693602 + 2 1 0 0 1 + -0.716027503526 -0.356877353411 + 0.222520709422 -0.529210839754 + 0.000000000000 0.000000000000 + 0.000000000000 0.000000000000 + 0.032427779585 -0.093861644467 + -0.116885369661 -0.006716117741 + -0.695541722633 -0.023531495401 + 0.099466343657 -0.382817949128 + 0.098333538059 0.086737576474 + 0.066902561348 -0.139361650407 + 0.365560690436 0.063024592851 + 0.156163582776 -0.673031387986 + 0.392149256209 0.105058020132 + -0.006458744648 -0.478592573658 + -0.108485879475 0.204414182080 + -0.043588548103 0.199478494468 + 2 7 0 0 1 + 0.435279888095 -0.642389636086 + 0.080094759080 0.236746520566 + 0.388895254710 -0.246797206459 + 0.053963263301 0.025369986257 + 0.353943857571 0.166823003064 + 0.192603831598 0.552475365010 + -0.361438558915 -0.297962469000 + 0.007475524074 -0.060180163422 + 0.016347902187 0.021587363389 + 0.027005237052 -0.020273011761 + 0.029965515489 0.089891253456 + 0.552685589495 -0.598630593554 + -0.108093157470 0.418951490320 + 0.521871109897 0.136986192163 + 0.180808038366 -0.087181806736 + -0.029537442018 0.009858589785 + 2 4 0 -1 0 + -0.507852467285 0.586701710415 + -0.051677612459 -0.244527114657 + 0.166655186704 -0.068213382379 + 0.399970643041 0.152645072488 + -0.270223088504 -0.282994083159 + 0.019063270660 -0.584775047862 + -0.080367718050 -0.164558307754 + 0.128154071558 -0.416095094324 + 0.077695044535 0.286131647825 + 0.357215835629 -0.095388852234 + -0.508123195040 -0.241183683514 + -0.058141667037 0.240454286652 + -0.297296442392 0.107910776133 + 0.133009746721 0.371296607775 + -0.272449119222 0.434750793629 + 0.174322547832 -0.207069047961 + 2 6 -1 0 0 + 0.580103265837 0.515376781099 + -0.245173251839 0.048519707490 + -0.127886501358 -0.250251315858 + -0.125596554473 0.347777051323 + -0.074892624255 -0.384053724752 + 0.331481926126 -0.482125499784 + 0.005312945013 -0.285761091746 + -0.279413109793 0.251669794510 + -0.038737271359 -0.028769240671 + -0.036078304573 0.048155197896 + 0.622228030545 -0.198012185245 + 0.414477783601 0.263112342607 + -0.228647128212 -0.365143801065 + -0.456534937621 0.283214112658 + -0.038992781952 -0.119696209775 + -0.173561679862 0.026313923138 + 2 7 -1 -1 0 + -0.656424558562 -0.413811339196 + 0.021608004119 0.248992328376 + 0.332985590573 0.318227869179 + -0.011665057854 0.058477315380 + 0.128638915364 0.369537816898 + 0.529131920529 0.249689157889 + -0.012214672326 0.468263031408 + -0.052021070915 0.031166387512 + -0.023692539655 0.013112273974 + -0.016475155403 -0.029476212250 + 0.095223947337 0.025716556364 + -0.320055076917 -0.748755049574 + -0.399324804411 -0.166565850388 + 0.205619197536 -0.498834058373 + -0.196694287698 -0.029206155163 + -0.035196269523 0.021941894549 + 3 1 0 0 0 + -0.014276117565 0.799908134507 + 0.572152288232 0.047131073664 + 0.000000000000 0.000000000000 + 0.000000000000 0.000000000000 + -0.070365675944 0.254924561886 + -0.266687656378 -0.161521815426 + 0.535460182435 -0.320990555305 + -0.161903481093 0.115367395643 + -0.156234425266 0.178456981171 + -0.152413310078 -0.234445132573 + -0.495266520311 0.081145804823 + -0.435408512859 0.189704577838 + 0.166227823503 -0.195056525481 + 0.168044804611 0.251102545955 + 0.183450148252 0.014594948910 + -0.602325625884 0.218188331698 + 3 4 0 0 0 + -0.702934081734 -0.328658945212 + 0.052511713983 0.244349350985 + -0.142314159011 0.051876383487 + -0.087008421361 -0.430336038270 + 0.081579170132 0.382689178922 + 0.493886616645 0.313689774759 + -0.114312659987 -0.103264147844 + 0.345475970350 -0.282864783564 + -0.276903253061 0.105983150910 + -0.133611477205 -0.344746514868 + -0.400969362604 -0.446837234332 + -0.031263934275 0.127043656384 + -0.137165783446 -0.284983259361 + 0.354659149937 -0.172538839204 + -0.299088424798 0.397093105390 + 0.118441757841 0.274476677034 + 3 7 0 0 0 + -0.736726659173 -0.243653145259 + 0.080902145360 0.236471834070 + -0.140888760414 0.283827092060 + 0.166235796565 0.296078113313 + -0.213800431967 -0.327712593524 + -0.573673918523 -0.114993478494 + 0.310067664068 -0.087788540694 + 0.109458375686 -0.327516534159 + -0.410973273443 0.135297636521 + -0.170868702458 -0.511779795135 + -0.079512815028 -0.069137820133 + -0.173335806180 -0.010688255540 + 0.022611622465 0.014899083647 + -0.018460958655 0.028274915379 + -0.453571175168 0.402701508946 + -0.060903729021 -0.548811203859 + 3 1 0 1 0 + 0.780874132204 0.174047179920 + -0.088604715713 0.567211409783 + 0.000000000000 0.000000000000 + 0.000000000000 0.000000000000 + -0.254958213175 0.070243648388 + 0.161394146982 0.266764938182 + -0.157559910568 -0.604092226526 + 0.065213877222 0.187801819440 + -0.233311705437 -0.042681821340 + 0.026333791964 0.278389778326 + -0.061320767485 0.498109758242 + 0.059685497793 0.471175170479 + 0.252687143534 0.042754472660 + -0.032459843006 -0.300396244207 + 0.065565744742 -0.171953780255 + 0.040108706488 0.639369689108 + 3 6 0 1 0 + 0.687094550506 0.360602418455 + -0.226287715692 0.106103511530 + 0.385526088046 -0.227098592643 + -0.071330049576 0.102038908872 + 0.165127938380 0.354737836479 + -0.205695616940 0.547735865232 + -0.454656611053 0.018793985309 + 0.112903233053 -0.057306303675 + -0.326071610956 0.281579134924 + 0.349425392517 0.408088566296 + 0.057261475564 -0.154637443276 + 0.036964710000 0.134557399329 + 0.045493573754 -0.016080427487 + -0.019814337148 -0.056815131687 + -0.106558414574 0.214405128900 + -0.007108624092 0.781038858111 + 3 4 0 0 -1 + 0.351711135959 -0.691688009418 + 0.109013065250 0.224900504750 + 0.016173228509 0.150608451616 + -0.438636627392 -0.018907150288 + 0.330392403388 0.209635465623 + 0.122245226656 0.572172499732 + 0.151754507186 -0.026484675039 + 0.010147848256 0.446389015373 + 0.144279347776 0.259019902011 + 0.323755722975 -0.178562084989 + 0.228634199401 -0.492974489763 + -0.283995213867 -0.040084183338 + -0.262583929998 0.176294044061 + 0.218466091519 0.328367675821 + -0.546008835930 -0.118969199047 + -0.147366065321 0.050066355857 + 3 7 -1 0 0 + 0.267868607016 -0.728271539267 + 0.134722130569 0.210508985478 + 0.241675403037 0.204940138979 + 0.327340115522 -0.090249864334 + -0.383691067731 -0.076728959376 + -0.319915743367 -0.489876700850 + -0.121756098823 0.298369295635 + 0.190660871372 0.287917780421 + 0.192359484422 0.387559428586 + 0.484297521627 -0.237845712038 + 0.091830441838 0.064926867872 + 0.122414884344 -0.116739600429 + 0.011532536372 -0.024500383035 + -0.030491870130 -0.014509434521 + -0.547861539941 -0.257287867983 + 0.470293222755 -0.292015904729 + 3 6 -1 0 -1 + 0.337697182759 -0.698636986057 + -0.245006260156 0.049356032220 + 0.313054416100 0.319689017491 + -0.116185194293 -0.044731594242 + -0.137730383341 0.366246515571 + 0.246670546124 0.530545857174 + 0.294768223180 0.346666327268 + -0.114674936647 -0.053673190512 + -0.232353746124 -0.362796418612 + 0.451194737658 -0.291646518215 + -0.122711770748 0.132848327397 + 0.110458784647 -0.041901062853 + 0.009448276737 0.047317813430 + -0.058956354285 0.012029772843 + 0.162300980487 0.159585104012 + 0.709275398497 0.335433869532 + 4 2 0 0 0 + 0.603165553800 -0.488184739868 + 0.012927571877 0.391074221279 + -0.294271856913 -0.036220354238 + -0.064541542698 0.309619604565 + 0.007843844063 0.249805043068 + -0.403866424907 0.423340496200 + -0.046707450713 0.366770500998 + 0.385761063120 0.082104603092 + 0.106247416293 -0.145390863956 + -0.080173606366 -0.164652967170 + -0.403126001523 -0.300063091158 + 0.354450855427 -0.448789131958 + -0.052101700502 -0.424926400986 + -0.406767323805 -0.155238326008 + 0.343735397474 -0.082795004011 + -0.030472144916 0.092342140647 + 4 3 0 0 0 + -0.702934081734 0.328658945212 + 0.081579170132 -0.382689178922 + -0.276903253061 -0.105983150910 + -0.137165783446 0.284983259361 + 0.052511713983 -0.244349350985 + 0.493886616645 -0.313689774759 + -0.133611477205 0.344746514868 + 0.354659149937 0.172538839204 + -0.142314159011 -0.051876383487 + -0.114312659987 0.103264147844 + -0.400969362604 0.446837234332 + -0.299088424798 -0.397093105390 + -0.087008421361 0.430336038270 + 0.345475970350 0.282864783564 + -0.031263934275 -0.127043656384 + 0.118441757841 -0.274476677034 + 4 8 0 0 0 + -0.679246067436 -0.375177032085 + 0.155843980022 -0.358913391439 + -0.234041322381 0.212731214642 + -0.180539166832 -0.235188114224 + 0.035964055018 0.247327055088 + -0.219874693298 -0.542199579617 + -0.266503080871 -0.290738493417 + 0.292337055777 -0.226365262737 + 0.377838803741 0.023973719983 + 0.049597005711 -0.381824182933 + 0.247716192389 0.338805599923 + 0.147370556420 -0.233345394096 + 0.070762365443 -0.259537737169 + -0.258644229087 -0.089166100314 + -0.291015859492 0.275063518929 + 0.233069915530 0.497059079562 + 4 2 0 1 0 + -0.507852467285 -0.586701710415 + -0.270223088504 0.282994083159 + 0.077695044535 -0.286131647825 + -0.297296442392 -0.107910776133 + -0.051677612459 0.244527114657 + 0.019063270660 0.584775047862 + 0.357215835629 0.095388852234 + 0.133009746721 -0.371296607775 + 0.166655186704 0.068213382379 + -0.080367718050 0.164558307754 + -0.508123195040 0.241183683514 + -0.272449119222 -0.434750793629 + 0.399970643041 -0.152645072488 + 0.128154071558 0.416095094324 + -0.058141667037 -0.240454286652 + 0.174322547832 0.207069047961 + 4 3 0 0 1 + 0.351711135959 0.691688009418 + 0.330392403388 -0.209635465623 + 0.144279347776 -0.259019902011 + -0.262583929998 -0.176294044061 + 0.109013065250 -0.224900504750 + 0.122245226656 -0.572172499732 + 0.323755722975 0.178562084989 + 0.218466091519 -0.328367675821 + 0.016173228509 -0.150608451616 + 0.151754507186 0.026484675039 + 0.228634199401 0.492974489763 + -0.546008835930 0.118969199047 + -0.438636627392 0.018907150288 + 0.010147848256 -0.446389015373 + -0.283995213867 0.040084183338 + -0.147366065321 -0.050066355857 + 4 5 -1 0 0 + 0.500165917904 -0.593268135077 + 0.321732207958 0.222698349850 + 0.163129067779 0.270959069806 + -0.265820438732 0.131329106389 + 0.249597864383 0.012844902787 + -0.574618076363 0.110178633166 + 0.337034940611 -0.204841920699 + 0.165160139020 0.330793462501 + -0.400327325301 0.227834953992 + 0.204432243436 0.421485518339 + 0.042535595295 0.056315430339 + -0.175105970450 0.116455216729 + -0.044086489188 0.039871017901 + 0.037512388139 0.047405028675 + 0.450233363491 0.358903789713 + 0.395658139740 -0.420461872246 + 4 8 -1 0 0 + 0.397420929640 -0.666475528594 + -0.147211233998 -0.362539682308 + 0.243848207899 0.201414899571 + -0.207127448308 0.212146317408 + 0.093645196673 0.231721087888 + 0.232785559137 -0.536783148345 + 0.252442849069 -0.303027014674 + 0.263464524410 0.259400521842 + 0.114030004836 -0.361018086610 + 0.270311956791 0.274191567456 + -0.174252358059 0.214153918157 + 0.411812687894 0.080654978118 + -0.234941777984 -0.131032478171 + 0.229519946311 -0.148889304285 + -0.470807948722 -0.196511594827 + -0.307970970667 0.326521720206 + 4 5 0 1 1 + 0.576413724665 0.519499993791 + 0.384253710452 -0.073859695827 + 0.245010499216 -0.199999413845 + 0.167791897347 0.244445738390 + 0.245512979682 -0.046770313658 + -0.481232456222 -0.332777084501 + 0.248118919471 0.306577503200 + -0.305704658646 0.207958765231 + 0.125004539528 0.443333507352 + -0.457983742176 -0.098455453015 + -0.101362874591 -0.113468287021 + -0.009051526436 -0.161162056068 + 0.028113971561 0.052372905213 + -0.060450651456 0.000367077927 + -0.155384759940 0.537781375938 + 0.565905650182 0.176785532753 + 5 1 0 0 0 + 0.731227692592 0.324596507636 + -0.266181318433 0.508652223775 + 0.000000000000 0.000000000000 + 0.000000000000 0.000000000000 + 0.100493908695 -0.107315074425 + -0.089557344550 -0.148406443334 + -0.556417996903 0.489338423569 + 0.196407468018 0.108471033645 + -0.267736157035 -0.296156322906 + -0.421806942632 0.208873368544 + -0.166185198295 -0.263700010079 + 0.123359976186 -0.044486086273 + 0.001305387974 -0.104231547565 + -0.117841827844 -0.034880043369 + -0.105767731372 0.134528704260 + -0.770042405913 -0.122430468603 + 5 6 0 0 0 + 0.512022920185 0.583065652166 + -0.049932745506 0.244889375756 + -0.169642323666 -0.060012087863 + -0.404432193347 -0.140565580982 + 0.283719645876 0.269461186830 + -0.584721675923 0.020635566260 + 0.167815570006 0.072990962379 + 0.400255973149 0.171471310038 + -0.028523550410 -0.038918536370 + -0.048382523265 0.035772875027 + -0.669362465732 0.361009001380 + 0.256729232736 -0.152029526352 + -0.110723471067 -0.416352996448 + -0.518616993138 0.140252619605 + 0.011808676890 -0.034947126084 + -0.206363013686 -0.052127335028 + 5 7 0 0 0 + -0.511273118211 0.583723242749 + -0.249311000384 -0.017553077217 + 0.034599564423 -0.278941289864 + -0.064838880428 0.363998072490 + -0.385096208360 0.069333101550 + 0.329281047920 -0.483631322776 + -0.233766759603 0.164518303399 + 0.318500776993 -0.199852659074 + 0.035392744614 -0.431221330133 + -0.537922768360 -0.041878006974 + -0.124132291061 -0.097876882829 + 0.108488147935 0.067107960172 + -0.022527285696 0.015026295724 + 0.018855861349 0.028013109912 + 0.161935620381 -0.625251503406 + 0.147510522075 -0.483607667597 + 5 1 1 0 0 + 0.464348835281 -0.651488288733 + -0.487953334726 -0.302458463536 + 0.000000000000 0.000000000000 + 0.000000000000 0.000000000000 + 0.143655287769 0.031284328020 + 0.010536631440 0.173014362941 + 0.313231848733 0.671519835149 + 0.159299599617 -0.158004734725 + 0.117065544521 -0.381689501647 + 0.470572613037 0.010516501299 + -0.299777639951 0.085373192708 + -0.008022359035 -0.130890554862 + 0.090167839335 -0.052303731179 + 0.088235833816 0.085543856857 + 0.099379921028 0.139314093206 + -0.333917770947 0.704594527932 + 5 4 1 0 0 + 0.500165917904 0.593268135077 + 0.249597864383 -0.012844902787 + -0.400327325301 -0.227834953992 + -0.044086489188 -0.039871017901 + 0.321732207958 -0.222698349850 + -0.574618076363 -0.110178633166 + 0.204432243436 -0.421485518339 + 0.037512388139 -0.047405028675 + 0.163129067779 -0.270959069806 + 0.337034940611 0.204841920699 + 0.042535595295 -0.056315430339 + 0.450233363491 -0.358903789713 + -0.265820438732 -0.131329106389 + 0.165160139020 -0.330793462501 + -0.175105970450 -0.116455216729 + 0.395658139740 0.420461872246 + 5 6 0 0 -1 + -0.599669313949 0.492473084989 + 0.009624831171 0.249742763773 + -0.099003755090 0.150260524245 + -0.233596179461 0.358827126223 + 0.391038047446 -0.013979059809 + -0.424424896653 -0.402726671566 + -0.160846273368 0.087282429327 + -0.381569927368 0.209789524848 + -0.034467313246 0.033767583845 + -0.041928120442 -0.043157848202 + -0.593492956138 -0.458900840873 + 0.270022917043 0.177933242998 + -0.396378707018 0.168799956513 + -0.208420571837 -0.495171937929 + 0.117983291869 0.054684807573 + 0.156788853553 -0.071905973384 + 5 7 0 -1 0 + -0.566506957396 -0.530285670891 + -0.246351913768 0.042128612783 + -0.262463673162 -0.100589230633 + 0.337766624957 0.150374147566 + -0.220065574960 0.323538732428 + 0.575780051123 -0.103935545499 + 0.014315066050 -0.285496495482 + -0.038649868198 0.374018740136 + -0.431872331646 0.026282524447 + -0.030514059505 -0.538686888982 + 0.138342829690 -0.032646821734 + -0.139746237581 -0.039093503591 + 0.018076787858 0.020161793193 + -0.025236585494 0.022436412074 + 0.638554916604 -0.119140096193 + 0.498149351000 -0.051949956687 + 5 4 0 -1 -1 + 0.576413724665 -0.519499993791 + 0.245512979682 0.046770313658 + 0.125004539528 -0.443333507352 + 0.028113971561 -0.052372905213 + 0.384253710452 0.073859695827 + -0.481232456222 0.332777084501 + -0.457983742176 0.098455453015 + -0.060450651456 -0.000367077927 + 0.245010499216 0.199999413845 + 0.248118919471 -0.306577503200 + -0.101362874591 0.113468287021 + -0.155384759940 -0.537781375938 + 0.167791897347 -0.244445738390 + -0.305704658646 -0.207958765231 + -0.009051526436 0.161162056068 + 0.565905650182 -0.176785532753 + 6 2 0 0 0 + 0.495923019591 0.596819389908 + 0.221832459488 0.322329844385 + 0.033985003523 0.034252955152 + 0.393945169405 0.174403865205 + -0.249683107459 0.011064867000 + -0.111723288955 0.574319746826 + 0.042891679440 -0.042200367060 + 0.219545449977 -0.490340879666 + 0.212205826253 0.184253536255 + -0.228432088409 -0.171774299375 + 0.081918470900 0.632369937123 + -0.123739434912 -0.142514371823 + -0.367763756688 0.038382172809 + 0.370350631039 -0.065190348067 + 0.420040931110 0.290447462328 + 0.101465590904 -0.027324693602 + 6 5 0 0 0 + 0.512022920185 -0.583065652166 + 0.283719645876 -0.269461186830 + -0.028523550410 0.038918536370 + -0.110723471067 0.416352996448 + -0.049932745506 -0.244889375756 + -0.584721675923 -0.020635566260 + -0.048382523265 -0.035772875027 + -0.518616993138 -0.140252619605 + -0.169642323666 0.060012087863 + 0.167815570006 -0.072990962379 + -0.669362465732 -0.361009001380 + 0.011808676890 0.034947126084 + -0.404432193347 0.140565580982 + 0.400255973149 -0.171471310038 + 0.256729232736 0.152029526352 + -0.206363013686 0.052127335028 + 6 8 0 0 0 + 0.366385757457 -0.684028144351 + -0.062371150189 -0.386284879704 + 0.427900750412 0.050104415903 + -0.046679561736 0.012217361307 + -0.246842665999 0.039150781279 + -0.477609298520 -0.337956539894 + -0.060240995818 0.533858975105 + -0.015479509542 -0.058145953682 + -0.099271645929 -0.395051822116 + 0.278474252191 0.306691363815 + -0.106620882536 0.186373221406 + -0.122964701984 0.352783818019 + 0.184601356730 -0.125321935397 + -0.105459814655 0.200917211940 + -0.017836585312 0.015574495833 + 0.726199023197 -0.021324257307 + 6 2 1 0 0 + 0.580103265837 -0.515376781099 + -0.074892624255 0.384053724752 + -0.038737271359 0.028769240671 + -0.228647128212 0.365143801065 + -0.245173251839 -0.048519707490 + 0.331481926126 0.482125499784 + -0.036078304573 -0.048155197896 + -0.456534937621 -0.283214112658 + -0.127886501358 0.250251315858 + 0.005312945013 0.285761091746 + 0.622228030545 0.198012185245 + -0.038992781952 0.119696209775 + -0.125596554473 -0.347777051323 + -0.279413109793 -0.251669794510 + 0.414477783601 -0.263112342607 + -0.173561679862 -0.026313923138 + 6 5 0 0 1 + -0.599669313949 -0.492473084989 + 0.391038047446 0.013979059809 + -0.034467313246 -0.033767583845 + -0.396378707018 -0.168799956513 + 0.009624831171 -0.249742763773 + -0.424424896653 0.402726671566 + -0.041928120442 0.043157848202 + -0.208420571837 0.495171937929 + -0.099003755090 -0.150260524245 + -0.160846273368 -0.087282429327 + -0.593492956138 0.458900840873 + 0.117983291869 -0.054684807573 + -0.233596179461 -0.358827126223 + -0.381569927368 -0.209789524848 + 0.270022917043 -0.177933242998 + 0.156788853553 0.071905973384 + 6 3 0 -1 0 + 0.687094550506 -0.360602418455 + 0.165127938380 -0.354737836479 + -0.326071610956 -0.281579134924 + 0.045493573754 0.016080427487 + -0.226287715692 -0.106103511530 + -0.205695616940 -0.547735865232 + 0.349425392517 -0.408088566296 + -0.019814337148 0.056815131687 + 0.385526088046 0.227098592643 + -0.454656611053 -0.018793985309 + 0.057261475564 0.154637443276 + -0.106558414574 -0.214405128900 + -0.071330049576 -0.102038908872 + 0.112903233053 0.057306303675 + 0.036964710000 -0.134557399329 + -0.007108624092 -0.781038858111 + 6 8 0 -1 0 + 0.671545541764 0.388792503615 + -0.319514032933 -0.225869323775 + -0.011248178769 -0.430677353909 + 0.018730622738 0.044468069139 + -0.230494096947 0.096625859398 + -0.093526277244 -0.577562204749 + -0.537118045847 0.011772327832 + 0.055550188451 -0.023124526121 + -0.407331110766 0.001472428099 + -0.413125827285 0.030570453085 + -0.055972985931 -0.182929767203 + -0.381976010831 0.056371825477 + -0.077310954118 -0.209299461947 + -0.093371250273 -0.206812253465 + 0.091668622398 0.040795682750 + 0.304219367909 0.652505636806 + 6 3 1 0 1 + 0.337697182759 0.698636986057 + -0.137730383341 -0.366246515571 + -0.232353746124 0.362796418612 + 0.009448276737 -0.047317813430 + -0.245006260156 -0.049356032220 + 0.246670546124 -0.530545857174 + 0.451194737658 0.291646518215 + -0.058956354285 -0.012029772843 + 0.313054416100 -0.319689017491 + 0.294768223180 -0.346666327268 + -0.122711770748 -0.132848327397 + 0.162300980487 -0.159585104012 + -0.116185194293 0.044731594242 + -0.114674936647 0.053673190512 + 0.110458784647 0.041901062853 + 0.709275398497 -0.335433869532 + 7 3 0 0 0 + -0.736726659173 0.243653145259 + -0.213800431967 0.327712593524 + -0.410973273443 -0.135297636521 + 0.022611622465 -0.014899083647 + 0.080902145360 -0.236471834070 + -0.573673918523 0.114993478494 + -0.170868702458 0.511779795135 + -0.018460958655 -0.028274915379 + -0.140888760414 -0.283827092060 + 0.310067664068 0.087788540694 + -0.079512815028 0.069137820133 + -0.453571175168 -0.402701508946 + 0.166235796565 -0.296078113313 + 0.109458375686 0.327516534159 + -0.173335806180 0.010688255540 + -0.060903729021 0.548811203859 + 7 5 0 0 0 + -0.511273118211 -0.583723242749 + -0.385096208360 -0.069333101550 + 0.035392744614 0.431221330133 + -0.022527285696 -0.015026295724 + -0.249311000384 0.017553077217 + 0.329281047920 0.483631322776 + -0.537922768360 0.041878006974 + 0.018855861349 -0.028013109912 + 0.034599564423 0.278941289864 + -0.233766759603 -0.164518303399 + -0.124132291061 0.097876882829 + 0.161935620381 0.625251503406 + -0.064838880428 -0.363998072490 + 0.318500776993 0.199852659074 + 0.108488147935 -0.067107960172 + 0.147510522075 0.483607667597 + 7 8 0 0 0 + -0.630375015555 -0.452504547264 + -0.274538188702 0.278809884343 + 0.007885343898 -0.025905395493 + -0.246148674175 -0.355830454199 + 0.006608424119 0.249840777622 + 0.010078478819 0.584998879618 + 0.032345573236 0.009697511339 + 0.442435901088 -0.308812476459 + 0.032235284531 -0.115148856212 + 0.101127041859 0.067540732039 + 0.366570122546 0.702792835576 + -0.055866166638 0.040955985088 + -0.000649301632 0.448781969326 + -0.433620498175 -0.142414306922 + 0.153176084505 0.145065435565 + -0.037859956837 -0.187163214377 + 7 3 1 0 0 + 0.267868607016 0.728271539267 + -0.383691067731 0.076728959376 + 0.192359484422 -0.387559428586 + 0.011532536372 0.024500383035 + 0.134722130569 -0.210508985478 + -0.319915743367 0.489876700850 + 0.484297521627 0.237845712038 + -0.030491870130 0.014509434521 + 0.241675403037 -0.204940138979 + -0.121756098823 -0.298369295635 + 0.091830441838 -0.064926867872 + -0.547861539941 0.257287867983 + 0.327340115522 0.090249864334 + 0.190660871372 -0.287917780421 + 0.122414884344 0.116739600429 + 0.470293222755 0.292015904729 + 7 5 0 1 0 + -0.566506957396 0.530285670891 + -0.220065574960 -0.323538732428 + -0.431872331646 -0.026282524447 + 0.018076787858 -0.020161793193 + -0.246351913768 -0.042128612783 + 0.575780051123 0.103935545499 + -0.030514059505 0.538686888982 + -0.025236585494 -0.022436412074 + -0.262463673162 0.100589230633 + 0.014315066050 0.285496495482 + 0.138342829690 0.032646821734 + 0.638554916604 0.119140096193 + 0.337766624957 -0.150374147566 + -0.038649868198 -0.374018740136 + -0.139746237581 0.039093503591 + 0.498149351000 0.051949956687 + 7 2 0 0 -1 + 0.435279888095 0.642389636086 + 0.353943857571 -0.166823003064 + 0.016347902187 -0.021587363389 + -0.108093157470 -0.418951490320 + 0.080094759080 -0.236746520566 + 0.192603831598 -0.552475365010 + 0.027005237052 0.020273011761 + 0.521871109897 -0.136986192163 + 0.388895254710 0.246797206459 + -0.361438558915 0.297962469000 + 0.029965515489 -0.089891253456 + 0.180808038366 0.087181806736 + 0.053963263301 -0.025369986257 + 0.007475524074 0.060180163422 + 0.552685589495 0.598630593554 + -0.029537442018 -0.009858589785 + 7 8 0 0 -1 + 0.473091029894 -0.615075526228 + 0.006918880458 0.391226657779 + -0.026763400562 -0.004121717409 + -0.317214915540 0.294243401442 + 0.065725292614 0.241131232616 + -0.410321573986 0.417086886406 + -0.005279910847 0.033352666694 + 0.365264223595 0.397110462151 + -0.104034568459 -0.058950667692 + -0.115487660513 0.038092379144 + -0.485789090686 0.622201792929 + -0.032028900840 -0.094540380405 + 0.435486824033 0.108429256561 + 0.379219531048 -0.253970704069 + -0.082962549245 0.206856040786 + 0.113643353056 0.135585105108 + 7 2 1 1 0 + -0.656424558562 0.413811339196 + 0.128638915364 -0.369537816898 + -0.023692539655 -0.013112273974 + -0.399324804411 0.166565850388 + 0.021608004119 -0.248992328376 + 0.529131920529 -0.249689157889 + -0.016475155403 0.029476212250 + 0.205619197536 0.498834058373 + 0.332985590573 -0.318227869179 + -0.012214672326 -0.468263031408 + 0.095223947337 -0.025716556364 + -0.196694287698 0.029206155163 + -0.011665057854 -0.058477315380 + -0.052021070915 -0.031166387512 + -0.320055076917 0.748755049574 + -0.035196269523 -0.021941894549 + 8 1 0 0 0 + 0.548690947229 0.582232836254 + -0.391617822160 0.419779776075 + 0.000000000000 0.000000000000 + 0.000000000000 0.000000000000 + 0.371941556872 -0.126786229563 + -0.263031843746 -0.381375152366 + 0.092481047795 -0.332356105048 + -0.096024831514 -0.060297418821 + -0.120126931093 0.092517953999 + 0.143462310771 0.106649293050 + -0.115421512499 -0.683137321080 + 0.292289851039 -0.170657228987 + 0.112799458346 -0.041757021996 + -0.083521498840 -0.114600961538 + -0.156789336887 0.227811621412 + 0.734477897299 0.092852061611 + 8 4 0 0 0 + -0.679246067436 0.375177032085 + 0.035964055018 -0.247327055088 + 0.377838803741 -0.023973719983 + 0.070762365443 0.259537737169 + 0.155843980022 0.358913391439 + -0.219874693298 0.542199579617 + 0.049597005711 0.381824182933 + -0.258644229087 0.089166100314 + -0.234041322381 -0.212731214642 + -0.266503080871 0.290738493417 + 0.247716192389 -0.338805599923 + -0.291015859492 -0.275063518929 + -0.180539166832 0.235188114224 + 0.292337055777 0.226365262737 + 0.147370556420 0.233345394096 + 0.233069915530 -0.497059079562 + 8 6 0 0 0 + 0.366385757457 0.684028144351 + -0.246842665999 -0.039150781279 + -0.099271645929 0.395051822116 + 0.184601356730 0.125321935397 + -0.062371150189 0.386284879704 + -0.477609298520 0.337956539894 + 0.278474252191 -0.306691363815 + -0.105459814655 -0.200917211940 + 0.427900750412 -0.050104415903 + -0.060240995818 -0.533858975105 + -0.106620882536 -0.186373221406 + -0.017836585312 -0.015574495833 + -0.046679561736 -0.012217361307 + -0.015479509542 0.058145953682 + -0.122964701984 -0.352783818019 + 0.726199023197 0.021324257307 + 8 7 0 0 0 + -0.630375015555 0.452504547264 + 0.006608424119 -0.249840777622 + 0.032235284531 0.115148856212 + -0.000649301632 -0.448781969326 + -0.274538188702 -0.278809884343 + 0.010078478819 -0.584998879618 + 0.101127041859 -0.067540732039 + -0.433620498175 0.142414306922 + 0.007885343898 0.025905395493 + 0.032345573236 -0.009697511339 + 0.366570122546 -0.702792835576 + 0.153176084505 -0.145065435565 + -0.246148674175 0.355830454199 + 0.442435901088 0.308812476459 + -0.055866166638 -0.040955985088 + -0.037859956837 0.187163214377 + 8 1 1 1 1 + -0.460665928705 0.654097648149 + 0.447141425420 0.360061279101 + 0.000000000000 0.000000000000 + 0.000000000000 0.000000000000 + 0.081775835543 -0.384353980669 + 0.409880870565 0.215940801175 + 0.344951657068 -0.004656076726 + 0.030878980370 -0.109101033703 + 0.017868942358 0.150568098497 + -0.176558873481 -0.027972674436 + 0.623162256443 -0.302766456439 + 0.245927184658 0.232544762727 + 0.021961347931 -0.118258470674 + 0.127137841492 0.062810750789 + -0.262695095710 -0.086442568809 + 0.117317263893 0.730969183044 + 8 4 1 0 0 + 0.397420929640 0.666475528594 + 0.093645196673 -0.231721087888 + 0.114030004836 0.361018086610 + -0.234941777984 0.131032478171 + -0.147211233998 0.362539682308 + 0.232785559137 0.536783148345 + 0.270311956791 -0.274191567456 + 0.229519946311 0.148889304285 + 0.243848207899 -0.201414899571 + 0.252442849069 0.303027014674 + -0.174252358059 -0.214153918157 + -0.470807948722 0.196511594827 + -0.207127448308 -0.212146317408 + 0.263464524410 -0.259400521842 + 0.411812687894 -0.080654978118 + -0.307970970667 -0.326521720206 + 8 6 0 1 0 + 0.671545541764 -0.388792503615 + -0.230494096947 -0.096625859398 + -0.407331110766 -0.001472428099 + -0.077310954118 0.209299461947 + -0.319514032933 0.225869323775 + -0.093526277244 0.577562204749 + -0.413125827285 -0.030570453085 + -0.093371250273 0.206812253465 + -0.011248178769 0.430677353909 + -0.537118045847 -0.011772327832 + -0.055972985931 0.182929767203 + 0.091668622398 -0.040795682750 + 0.018730622738 -0.044468069139 + 0.055550188451 0.023124526121 + -0.381976010831 -0.056371825477 + 0.304219367909 -0.652505636806 + 8 7 0 0 1 + 0.473091029894 0.615075526228 + 0.065725292614 -0.241131232616 + -0.104034568459 0.058950667692 + 0.435486824033 -0.108429256561 + 0.006918880458 -0.391226657779 + -0.410321573986 -0.417086886406 + -0.115487660513 -0.038092379144 + 0.379219531048 0.253970704069 + -0.026763400562 0.004121717409 + -0.005279910847 -0.033352666694 + -0.485789090686 -0.622201792929 + -0.082962549245 -0.206856040786 + -0.317214915540 -0.294243401442 + 0.365264223595 -0.397110462151 + -0.032028900840 0.094540380405 + 0.113643353056 -0.135585105108 diff --git a/test-suite/tests/testw90_write_u_matrices/gaas.win b/test-suite/tests/testw90_write_u_matrices/gaas.win new file mode 100644 index 000000000..db0faf49e --- /dev/null +++ b/test-suite/tests/testw90_write_u_matrices/gaas.win @@ -0,0 +1,42 @@ +! Gallium Arsenide: Tutorial Example 1 + + num_wann = 4 + num_iter = 20 + + +! SYSTEM + +begin unit_cell_cart +bohr +-5.367 0.000 5.367 + 0.000 5.367 5.367 +-5.367 5.367 0.000 +end unit_cell_cart + +begin atoms_frac +Ga 0.00 0.00 0.00 +As 0.25 0.25 0.25 +end atoms_frac + +begin projections +As:sp3 +end projections + +! KPOINTS + +mp_grid : 2 2 2 + +begin kpoints +0.0 0.0 0.0 +0.0 0.0 0.5 +0.0 0.5 0.0 +0.0 0.5 0.5 +0.5 0.0 0.0 +0.5 0.0 0.5 +0.5 0.5 0.0 +0.5 0.5 0.5 +end kpoints + +! I only plot U matrices +! (on purpose, it's a regression test for issue #139) +write_u_matrices=.true. diff --git a/test-suite/tests/userconfig b/test-suite/tests/userconfig index bb2a59812..af7689ffe 100644 --- a/test-suite/tests/userconfig +++ b/test-suite/tests/userconfig @@ -21,6 +21,11 @@ tolerance = ( (1.0e-5, 1.0e-5, 'final_centres_x'), (1.0e-6, 1.0e-6, 'completeness_z'), (1.0e-6, 1.0e-6, 'completeness_weight')) +[WANNIER90_UMAT] +exe = ../../wannier90.x +extract_fn = tools parsers.parse_umat.parse +tolerance = ( (1.0e-5, 1.0e-5, 'size')) + [POSTW90_GENINTERPDAT_OK] exe = ../../postw90.x extract_fn = tools parsers.parse_geninterp_dat.parse diff --git a/test-suite/tools/parsers/parse_umat.py b/test-suite/tools/parsers/parse_umat.py new file mode 100644 index 000000000..348187a24 --- /dev/null +++ b/test-suite/tools/parsers/parse_umat.py @@ -0,0 +1,34 @@ +""" +Parser function parse() to parse the _u.mat output file of Wannier90 (u matrices). +""" +import inspect +import re +from collections import defaultdict + +from . import show_output + +def parse(fname): + """ + Open the file, parses it and return the values + + For now, I just check that the size of the file is correct, but + I don't check the actual content + """ + retdict = defaultdict(list) + + if show_output: + print "[{}.{}] Parsing file '{}'".format( + __name__, inspect.currentframe().f_code.co_name, fname) + + with open(fname) as f: + lines = f.readlines() + + #read the values on the second line, that are the size of the matrix + retdict['size'] = [int(_) for _ in lines[1].split()] + + retdict = dict(retdict) + if show_output: + for k in sorted(retdict): + print " {}: {}".format(k, retdict[k]) + print "-"*72 + return retdict