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

Small fix: call to errore in the EXX part was missing error code (spotted by H.P. Komsa). 

GS


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7144 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
sclauzer 2010-10-15 10:15:42 +00:00
parent 9423a35d01
commit da531957fd
1 changed files with 1 additions and 1 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

2
PW/setup.f90
View File

@ -403,7 +403,7 @@ SUBROUTINE setup()
doublegrid = ( dual > 4.D0 )
#if defined (EXX)
IF ( doublegrid .and. dft_is_hybrid() ) &
CALL errore('setup','ecutrho>4*ecutwfc and exact exchange not allowed')
CALL errore('setup','ecutrho>4*ecutwfc and exact exchange not allowed',1)
#endif
IF ( doublegrid .AND. (.NOT.okvan .AND. .not.okpaw) ) &
CALL infomsg ( 'setup', 'no reason to have ecutrho>4*ecutwfc' )