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

A check for conflicting input was in the wrong place, causing possible crashes and no check. 

LP


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4237 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
paulatto 2007-09-13 10:33:17 +00:00
parent 6500eb11cd
commit 6db5d1375d
1 changed files with 2 additions and 2 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

4
atomic/ld1_readin.f90
View File

@ -395,8 +395,6 @@ subroutine ld1_readin
call errore('ld1_readin','nconf is wrong',1)
if (iswitch == 3 .and. nconf > 1) &
call errore('ld1_readin','too many test configurations',1)
if (rel==2.and.lsdts(nc)==1) call errore('ld1_readin',&
'Fully relativistic spin-polarized calculations not allowed',1)
if (frozen_core.and.lsdts(1)==1) call errore('ld1_readin',&
'With frozen-core the first configuration must be spin-unpolarized',1)
if (iswitch==3.and.lsdts(1)==1) call errore('ld1_readin',&
@ -406,6 +404,8 @@ subroutine ld1_readin
do nc=1,nconf
if (lsdts(nc)<0.or.lsdts(nc)>1) call errore('ld1_readin', &
'lsdtsi must be 0 or 1',1)
if (rel==2.and.lsdts(nc)==1) call errore('ld1_readin',&
'Fully relativistic spin-polarized calculations not allowed',1)
if (configts(nc) == ' ') then
if (ionode) &
call read_psconfig (rel, lsdts(nc), nwftsc(nc), eltsc(1,nc), &