[Wien] Pbs with LDA+U and 2003 version of Wien2k
Benali Ben
kanoun_benali at yahoo.fr
Tue Aug 30 16:55:18 CEST 2005
Dear P. Blaha,
I have the same pb as the above cited in the digest.
You ask the user to update the version, in fact, I
have the version of 12/2004 and in the station i have
that of 01/2003. Is it possible to show me what files
to coppy in the 2003 version in order to avaid the pb.
It will be more fast for me than to re-install all the
version in the satation).
Thank you for your help
For LSDA calculation, everything is OK. But when I try
to do the LSDA+U calculation, the ERROR appear.
>
> The first circle is OK, but after the "orb" program
had been done, a ERROR appear "if: Badly formed
number.", and the program been stop.
>
> Who can tell me the reasons?
>
> My version is "WIEN2k_03 (Release 18/01/2003)".
Update your version. Some Unix versions do not
understand a particular
"csh if-switch". It was fixed some time ago.
P.Blaha
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