[Wien] Lapw0 error

[Batyrev, Iskander]

-----Original Message-----
From:	wien-admin at zeus.theochem.tuwien.ac.at on behalf of Torsten Andersen
Sent:	Mon 11/1/2004 4:52 AM
To:	wien at zeus.theochem.tuwien.ac.at
Cc:	
Subject:	Re: [Wien] Lapw0 error
Dear Dr. Sabra,

you can reduce two of the parameters: RMT*kmax in case.in1(c) and/or 
GMAX in case.in2(c). I would suggest to start by reducing GMAX to a 
little more than what you are told GMIN is during initialisation.

Best regards,
Torsten Andersen.

mkhsabra at aec.org.sy wrote:
> 
>  Dear Wien users;
> 
>  I have setup an InP suercell 2x2x2 ( 64 atoms). I have got InP.output about 
> 26 Mb. when runnig the scf run I got Error in parallel lapw0.
> 
> Please help and how can I reduce the no. of plane waves about 500000.
> 
> thank you very much
> 
> Dr. M. K. sabra
> 
> 
> 
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-- 
Dr. Torsten Andersen        TA-web: http://deep.at/myspace/
AG Hübner, Department of Physics, Kaiserslautern University
http://cmt.physik.uni-kl.de    http://www.physik.uni-kl.de/

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