[Wien] pairHess Error

Peter Blaha pblaha at theochem.tuwien.ac.at
Mon Apr 18 07:39:58 CEST 2011


I doubt that anybodey can help you.

Install a fresh version of WIEN2k.

Am 17.04.2011 17:34, schrieb SANJAY KUMAR SINGH:
> Respected Sir,
> I did ignoring pairHess error but. In next step there are error in case.outputd. Again I proceed ignoring error.
> In next step same error are occurred. in last when i run SCF the error message is there is no case.ouputd file foe next step.
> Sir, Please help me.
>
> /SANJAY KUMAR SINGH/
> JRF (DST), NEW DELHI
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                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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