[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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