[Wien] Res: problems with version of wien2k_08

[Peter Blaha]

The only change on format of case.clmsum in the time period 2006-now
which I can remember concerns (see www.wien2k.at/reg_user/updates)

#  VERSION_06.2: 9.03.2006
# Support for more than 999999 PW coefficints in clmsum/vns,... This required changes ...

This change is rather trivial and can be made by hand.
Edit case.clmsum and search for a line containing the characters "PW".
Make sure that this line has FIRST a number and then the text, like eg.
                 112 NUMBER OF PW
(The old format had first some text, then the numbers in a fixed format.)

Hope this helps.

Luiz Cláudio Carvalho schrieb:
> Dear Laurence
>  
> I have calculated  run_lapw -ef 1.0 wien2K_06. And now I want to minize 
> the positions in wien2k_08 because it have CLMINTER. I am having trouble 
> with run lapw0.
>  
> Luiz Cláudio
> 

-- 

                                       P.Blaha
--------------------------------------------------------------------------
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
--------------------------------------------------------------------------