[Wien] runafm_lapw
Michelle Johannes
johannes at maugre.ucdavis.edu
Tue May 30 17:27:12 CEST 2000
Dear Wien users,
Since recently updating to Wien2k_03, I can no longer get a forced
AFM calculation (runafm_lapw) to work properly. I have tried several
different structures, including the NiO one which ran beautifully using
Wien2k_02. The SCF cycle always stops with a formatting type error in
mixer (no similar errors appear with standard runsp_lapw):
PGFIO-F-231/formatted read/unit=47/error on data conversion.
File name = EuN.clmvaldn formatted, sequential access record = 5
In source file mixer.f, at line number 292
I realize that I have provided relatively little info, but I would like to
know if anyone else has had this problem or better yet, if someone can
verify that they have gotten the procedure to run successfully. I am
running Wien2k_03 on a Linux OS, compiled with pgf90 and pgcc - the same
configuration I used successfully with the older version.
Thanks for any help or advice,
Michelle
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