Commit c3be78f8 authored by Frank Freimuth's avatar Frank Freimuth

Update rw_inp.f90: For Wannier-function calculations it is often

necessary to keep the eig-file, because otherwise the phase-relationship
between Bloch functions and Wannier-functions is not known. Therefore, in the
past, the eig.hdf file was generated during a first run, where the mmn and amn
files are generated. In subsequent runs of the wannier-branch the eig.hdf file
could be reused by setting eig66=T in the inp file. This ensured consistent
phase relations between bloch functions and wannier functions and therefore
a consistent choice of phases between all files generated in the wannier branch.
Since the eig66 switch has disappeared in the MaX-Release, I try to revive it
with this commit. 
parent 6a6b52fd
!--------------------------------------------------------------------------------
! Copyright (c) 2016 Peter Grünberg Institut, Forschungszentrum Jülich, Germany
! This file is part of FLEUR and available as free software under the conditions
......@@ -482,9 +481,12 @@
7220 FORMAT (5x,l1,1x,6x,l1,1x,5x,l1,1x,3x,i1,1x,9x,i4)
!
DO i=1,100 ; line(i:i)=' ' ; ENDDO
input%eig66(2)=.false.
READ (UNIT=5,FMT=6000,END=99,ERR=99)&
& idum,ldum,input%l_f,input%eonly
WRITE (6,9130) 0,.false.,input%l_f,input%eonly
& idum,ldum,input%l_f,input%eonly,input%eig66(1)!,input%eig66(2)
WRITE (6,9130) 0,.false.,input%l_f,input%eonly,input%eig66(1)!,input%eig66(2)
6000 FORMAT (4x,i1,8x,l1,5x,l1,7x,l1,7x,l1)
!
!+roa
......
Markdown is supported
0% or
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment