vasp 5.3.3 bug in call to routine DENSTA in main.F - missing argument

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pblanko · #1 Post by **pblanko** » Thu Feb 28, 2013 4:10 am

I noticed the DENSTA routine in DOS.F has 18 arguments:
SUBROUTINE DENSTA( IU0, IU, WDES, W, KPOINTS, NELECT, &
NUP_DOWN, ENTROPY, EFERMI, SIGMA, LNOAUTO, &
NEDOS, LDIMP, NIOND, DOS, DOSI, PAR, DOSPAR)

However in file main.F, line 2303 the subroutine is called with 17 arguments:
CALL DENSTA( IO%IU0, IO%IU6, WDES, W, KPOINTS, INFO%NELECT, &
INFO%NUP_DOWN, E%EENTROPY, EFERMI, KPOINTS%SIGMA, &
NEDOS, 0, 0, DOS, DOSI, PAR, DOSPAR)

It clearly misses the 11th argument "LNOAUTO".

In all other calls to DENSTA in main.F LNOAUTO=.FALSE.
Should the correct call be therefore?:
CALL DENSTA( IO%IU0, IO%IU6, WDES, W, KPOINTS, INFO%NELECT, &
INFO%NUP_DOWN, E%EENTROPY, EFERMI, KPOINTS%SIGMA, .FALSE., &
NEDOS, 0, 0, DOS, DOSI, PAR, DOSPAR)

#2 Post by **admin** » Fri Mar 15, 2013 2:34 pm

dear colleague, thank you very much for your hint, we will fix that bug immediately