[Wien] runafm_lapw

[Michelle Johannes]

Kevin-
	Your fix worked perfectly.  Thank you for pointing out your former
message - I apologize for not finding it myself.

	Michelle

On Tue, 16 Sep 2003, Jorissen Kevin wrote:

> Hello Michelle,
> 
> I had exactly the same problem.  Check one of my e-mails from a few
> weeks ago, 'clmcopy not adapted for 100-atom format'.  I posted it some
> time in august.
> 
> Good luck, let me know if it doesn't help you,
> 
> Kevin.
> 
> 
> -----Oorspronkelijk bericht-----
> Van: Michelle Johannes [mailto:johannes at maugre.ucdavis.edu] 
> Verzonden: dinsdag 30 mei 2000 17:27
> Aan: wien at zeus.theochem.tuwien.ac.at
> Onderwerp: [Wien] runafm_lapw
> 
> 
> 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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