[Wien] problem pending

Peter Blaha pblaha at theochem.tuwien.ac.at
Thu Jun 16 11:32:39 CEST 2011


As a response you have sent the struct file. That's nice, but what do you expect ?

Should I do the calculation myself ? Even then, it won't help you if I tell you
that it was running fine.

As I said, if you get no reply, then your info is not enough to help you.

 From previous messages with "select errors" you should know what the general
response is.
Often your case.in1 file is wrong (energy parameters), but there could be
many other reasons.

Instead of waiting for weeks: Did you retry to start from scratch ?

Am 16.06.2011 11:07, schrieb Pooja Rana:
> Respected Prof. Blaha and dear wien2k users,
>
> Sir, as per your instructions I have sent all the informations related to my problem in supercell calculations.
>
> Sir, I am still waiting for a response to get the suggesstions to the problem.
>
> May I request for a reply, please,
>
> with kind regards and thanks,
>
> /Pooja Rana
> //
> /
>
>
>
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien

-- 

                                       P.Blaha
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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/
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