[Wien] lapw0 error

Michael Gurnett michael.gurnett at kau.se
Tue Oct 25 09:54:31 CEST 2005


Yes. they are. Have been reading now about the dual core P4 which looks
nice. Have seen a number of people have been able to overclock the 2.8 GHz
to almost 4 Ghz. Should be a nice machine to run Wien2k on.

Michael

-----Original Message-----
From: Peter Blaha <pblaha at theochem.tuwien.ac.at>
To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
Date: Tue, 25 Oct 2005 09:15:43 +0200 (CEST)
Subject: Re: [Wien] lapw0 error

> Yes, at present there is a limit of 999999 PWs  (which was increased
> from
> 99999 not so long ago !)
> 
> (Computers are developing faster and faster - we also have to think
> about a
> 1000-atom-fix soon !!)
> 
> Regards
> 
> > Sorry, forgot to mention I do have the problem with **** in clm for
> the number
> > of plane waves. Looks like I've hit a limit. I guess I'll have to try
> GMax 19
> 
> 
>                                       P.Blaha
> -----------------------------------------------------------------------
> ---
> 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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