[Wien] error in runafm_lapw with Pratt

Michelle Johannes johannes at maugre.ucdavis.edu
Tue Jun 6 02:20:15 CEST 2000


Dear Wien users,
	With a helful suggestion from Kevin Jorissen, I have gotten
runafm_lapw to work properly in its Wien2k_03 implementation, but only
with Broyden mixing.  If I try to use Pratt mixing, it crashes in the
third iteration with a formatting error in clmcopy.  Bravely continuing
on, it experiences another error in mixer:

in cycle 3    ETEST: 0   CTEST: 0
 LAPW0 END
 LAPW1 END
 LAPW2 END
PGFIO-F-231/formatted read/internal file/error on data conversion.
 In source file clmcopy.f, at line number 362
 CORE  END
 CORE  END
PGFIO-F-217/formatted read/unit=47/attempt to read past end of file.
 File name = AFM.clmvaldn    formatted, sequential access   record = 30624
 In source file mixer.f, at line number 459


Has anyone already found a fix for this problem?

	Thank you,
		Michelle






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