[Wien] CRITIC Software

[Peter Blaha]

I'm pretty sure Critic just uses   case.clmsum, and no other *clmsum* files.

Am 21.02.2012 15:23, schrieb Ali Allam:
>
> Dear All,
>
> I am a new user of WIEN2K Software, and i want to work on CRITIC Software
>
> Critic uses 2 files generated from WIEN2K, that are : _*.clmsum*_ and *_.struct_* files
>
> When i use critic, and i apply the examples in the software, all is good
>
> But when i apply my specific crystals, the AUTO calculation in critic fail
>
> I have very big crystals, and so i have many clmsum and struct files in WIEN2K because i restart my calculation hen time is finished without achieving the calculation
> for example : i have : *.clmsum* and *_._clmsum_old* files in WIEN2K
>
> Did anyone know how to use these 2 files during the AUTO calculation of CRITIC Software
>
> Thanks a lot
>
> Best regards
>
> Ali ALLAM
> 2nd year PhD - physics of materials
> Aix- Marseille University
> Avenue Escadrille Normandie - Niemen
> 13013 Marseille
> FRANCE
>
>
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-- 
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Peter Blaha
Inst. Materials Chemistry, TU Vienna
Getreidemarkt 9, A-1060 Vienna, Austria
Tel: +43-1-5880115671
Fax: +43-1-5880115698
email: pblaha at theochem.tuwien.ac.at
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