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Fixed small printing issue, it was giving problems when compiled by T…
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…ravis

testing procedure.
Modified shift-current test in the test-suite example,
it was too time-consuming, lowered number of k points.
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Julen-ia committed Jun 8, 2018
1 parent 46582b9 commit c13998c
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Showing 3 changed files with 358 additions and 340 deletions.
28 changes: 23 additions & 5 deletions src/parameters.F90
Original file line number Diff line number Diff line change
Expand Up @@ -489,6 +489,7 @@ module w90_parameters
public :: param_lib_set_atoms
public :: param_memory_estimate
public :: param_get_smearing_type
public :: param_get_convention_type
public :: param_dist
public :: param_chkpt_dist

Expand Down Expand Up @@ -2328,6 +2329,26 @@ function param_get_smearing_type(smearing_index)

end function param_get_smearing_type

function param_get_convention_type(sc_phase_conv)
!! This function returns a string describing the convention
!! associated to a sc_phase_conv integer value.
integer, intent(in) :: sc_phase_conv
!! The integer index for which we want to get the string
character(len=80) :: param_get_convention_type

character(len=4) :: orderstr

if (sc_phase_conv .eq. 1) then
param_get_convention_type = "Tight-binding convention"
else if (sc_phase_conv .eq. 2) then
param_get_convention_type = "Wannier90 convention"
else
param_get_convention_type = "Unknown type of convention"
end if

end function param_get_convention_type



function get_smearing_index(string,keyword)
!! This function parses a string containing the type of
Expand Down Expand Up @@ -3003,11 +3024,8 @@ subroutine param_postw90_write
if(index(berry_task,'sc')>0) then
write(stdout,'(1x,a46,10x,f8.3,13x,a1)') '| Smearing factor for shift current :',sc_eta,'|'
write(stdout,'(1x,a46,10x,f8.3,13x,a1)') '| Frequency theshold for shift current :',sc_w_thr,'|'
if (sc_phase_conv.eq.1) then
write(stdout,'(1x,a46,10x,f8.3,13x,a1)') '| Using TB phase convention, number :',sc_phase_conv,'|'
else
write(stdout,'(1x,a46,10x,f8.3,13x,a1)') '| Using W90 phase convention, number :',sc_phase_conv,'|'
end if
write(stdout,'(1x,a46,1x,a27,3x,a1)') '| Bloch sums :',&
trim(param_get_convention_type(sc_phase_conv)),'|'
end if
if(kubo_adpt_smr.eqv.adpt_smr .and. kubo_adpt_smr_fac==adpt_smr_fac .and. kubo_adpt_smr_max==adpt_smr_max &
.and. kubo_smr_fixed_en_width==smr_fixed_en_width .and. smr_index==kubo_smr_index) then
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