scnc
/
quantum-espresso
mirror of https://gitlab.com/QEF/q-e.git
1
0
Fork 0
Code Issues Packages Projects Releases Wiki Activity

Bug fix: when the write/read option is used in pwcond for the case of different leads. (A. Smogunov) 

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7782 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
smogunov 2011-05-16 08:37:29 +00:00
parent 6db2ad40bb
commit 191384532f
2 changed files with 3 additions and 3 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

4
PWCOND/do_cond.f90
View File

@ -263,14 +263,14 @@ IF (lread_cond) THEN
call save_cond (.false.,1,efl,nrzl,nocrosl,noinsl, & call save_cond (.false.,1,efl,nrzl,nocrosl,noinsl, &
norbl,rl,rabl,betarl) norbl,rl,rabl,betarl)
if(ikind.eq.1) then if(ikind.eq.1) then
call save_cond (.false.,2,efs,nrzs,-1, & call save_cond (.false.,2,efs,nrzs,ik, &
noinss,norbs,rs,rabs,betars) noinss,norbs,rs,rabs,betars)
norbr = norbl norbr = norbl
nocrosr = nocrosl nocrosr = nocrosl
noinsr = noinsl noinsr = noinsl
endif endif
if(ikind.eq.2) then if(ikind.eq.2) then
call save_cond (.false.,2,efs,nrzs,-1, & call save_cond (.false.,2,efs,nrzs,ik, &
noinss,norbs,rs,rabs,betars) noinss,norbs,rs,rabs,betars)
call save_cond (.false.,3,efr,nrzr,nocrosr,& call save_cond (.false.,3,efr,nrzr,nocrosr,&

2
PWCOND/save_cond.f90
View File

@ -352,7 +352,7 @@ subroutine save_cond (lwrite, lsr, ef, nrz, nocros, noins, &
else else
allocate( zpseur(2, norb, norb) ) allocate( zpseur(2, norb, norb) )
endif endif
vppotr = vppotr vppotr = vppot
zr = z zr = z
taunewr = taunew taunewr = taunew
tblmr = tblm tblmr = tblm