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Fixed error message "charge is wrong" (charge is still wrong, but 

at least the error message is correct :-)


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5457 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
giannozz 2009-03-03 17:49:46 +00:00
parent 2c1805e36e
commit 8b2708e946
1 changed files with 1 additions and 1 deletions
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2
PW/electrons.f90
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@ -447,7 +447,7 @@ SUBROUTINE electrons()
IF ( ABS( charge - nelec ) / charge > 1.D-7 ) THEN
WRITE( stdout, 9050 ) charge, nelec
IF ( ABS( charge - nelec ) / charge > 1.D-3 ) THEN
IF (lgauss) THEN
IF (.not.lgauss) THEN
CALL errore( 'electrons', 'charge is wrong: smearing is needed', 1 )
ELSE
CALL errore( 'electrons', 'charge is wrong', 1 )