[Wien] confused with the scf running

[Peter Blaha]

The run*_lapw scripts always use   case.clmsum (and case.struct).

The "saved" density is just a copy of the last case.clmsum file. It is 
not used by any program (except in restore_lapw).

There is also a case.clmsum_old, which is the "backup" density from one 
iteration before the last one.

> We are doing the example running in the user guide through GUI and got
> confused with the scf running program. Say, if after finish one scf
> running and save the .scf result in the same folder, and then start
> another scf running without any change to the initial files, the program
> will read the old clmsum file or the new one for LAPW0? I found both the
> new clmsum file and the old in the same folder after saving the
> calculation. After reading the user guide, it seems the scf program
> automatically read new files saved manually from the last run, is that
> correct?
>
> Best regards,
>
>
> --
> Minghao, Zhang, Graduate Student.
> Department of NanoEngineering
> University of California, San Diego
> SME Building, room 242C
> 9500 Gilman Drive
> La Jolla, CA 92093
> Cell: 858-956-9058
> e-mail: miz016 at eng.ucsd.edu <mailto:kjcarroll at ucsd.edu>
> Group website: http://ne.ucsd.edu/smeng/
>
>
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-- 

                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300             FAX: +43-1-58801-165982
Email: blaha at theochem.tuwien.ac.at    WWW: 
http://info.tuwien.ac.at/theochem/
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