Merge pull request wannier-developers#146 from stepan-tsirkin/uHuform…

…atted-bugfix bugfix for formatted uHu file read
manxkim · Dec 2, 2017 · a68d704 · a68d704
2 parents b18b9bb + 6539e28
commit a68d704
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Showing 2 changed files with 13 additions and 8 deletions.
diff --git a/src/parameters.F90 b/src/parameters.F90
@@ -36,7 +36,7 @@ module w90_parameters
   !! Read the wvfn from fortran formatted file
   logical,           public, save :: spn_formatted
   !! Read the spin from fortran formatted file
-  logical,           public, save :: berry_uHu_formatted
+  logical,           public, save :: uHu_formatted
   !! Read the uHu from fortran formatted file
   integer,           public, save :: spin
   !! Spin up=1 down=2
@@ -545,8 +545,8 @@ subroutine param_read ( )
     spn_formatted  =  .false.       ! formatted or "binary" file
     call param_get_keyword('spn_formatted',found,l_value=spn_formatted)
 
-    berry_uHu_formatted  =  .false.       ! formatted or "binary" file
-    call param_get_keyword('berry_uHu_formatted',found,l_value=berry_uHu_formatted)
+    uHu_formatted  =  .false.       ! formatted or "binary" file
+    call param_get_keyword('uhu_formatted',found,l_value=uHu_formatted)
 
     spin=1
     call param_get_keyword('spin',found,c_value=spin_str)
@@ -2613,6 +2613,11 @@ subroutine param_postw90_write
        else
           write(stdout,'(1x,a46,7x,a11,13x,a1)') '|  Spn file-type                   :','unformatted','|'
        endif
+       if(uHu_formatted) then
+          write(stdout,'(1x,a46,9x,a9,13x,a1)')   '|  uHu file-type                   :','formatted','|'
+       else
+          write(stdout,'(1x,a46,7x,a11,13x,a1)') '|  uHu file-type                   :','unformatted','|'
+       endif
     end if
 
     if (size(fermi_energy_list) == 1) then
@@ -5428,7 +5433,7 @@ subroutine param_dist
     call comms_bcast(length_unit,1) 
     call comms_bcast(wvfn_formatted,1) 
     call comms_bcast(spn_formatted,1) 
-    call comms_bcast(berry_uHu_formatted,1) 
+    call comms_bcast(uHu_formatted,1) 
     call comms_bcast(spin,1) 
     call comms_bcast(num_dump_cycles,1)
     call comms_bcast(num_print_cycles,1)

diff --git a/src/postw90/get_oper.F90 b/src/postw90/get_oper.F90
@@ -669,7 +669,7 @@ subroutine get_CC_R
     use w90_parameters, only    : num_kpts,nntot,nnlist,num_wann,&
                                   num_bands,ndimwin,wb,bk,&
                                   have_disentangled,timing_level,&
-                                  scissors_shift,  berry_uHu_formatted
+                                  scissors_shift,  uHu_formatted
     use w90_postw90_common, only : nrpts,v_matrix
     use w90_io, only            : stdout,io_error,io_stopwatch,io_file_unit,&
                                   seedname
@@ -713,7 +713,7 @@ subroutine get_CC_R
        enddo
 
        uHu_in=io_file_unit()
-       if (berry_uHu_formatted) then
+       if (uHu_formatted) then
           open(unit=uHu_in, file=trim(seedname)//".uHu",form='formatted',&
                status='old',action='read',err=105)
           write(stdout,'(/a)',advance='no')&
@@ -752,10 +752,10 @@ subroutine get_CC_R
                 ! Read from .uHu file the matrices <u_{q+b1}|H_q|u_{q+b2}> 
                 ! between the original ab initio eigenstates
                 !
-                if (berry_uHu_formatted) then
+                if (uHu_formatted) then
                    do m=1,num_bands
                       do n=1,num_bands
-                         read(uHu_in,'(2ES20.10)',err=106,end=106) c_real,c_img
+                         read(uHu_in,*,err=106,end=106) c_real,c_img
                          Ho_qb1_q_qb2(n,m) = cmplx(c_real,c_img,dp)
                       end do
                    end do