[Wien] GaAs: error SCF!!

[Jose Alfredo Camargo Martinez]

Attached to the mail sending GaAs.struct, GaAs.in1 and GaAs.in1c

Regards




________________________________
De: Lyudmila V. Dobysheva <lyu at otf.pti.udm.ru>
Para: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
Enviado: mié,10 noviembre, 2010 04:37
Asunto: Re: [Wien] GaAs: error SCF!!

09 Nov 2010 20:26:10 Jose Alfredo Camargo Martinez wrote:

> forrtl: severe (24): end-of-file during read, unit 5, file
> /home/sork/WIEN2k/GaASI/GaASI.in1
> Check GaAs.struct, I'm almost sure it is correct. 

Dear Jose,

It's better to send us your struct and in1 files.

Best wishes
Lyudmila Dobysheva
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