[Wien] Pt atom in a box

[xn22 at drexel.edu]

This means you didn't finish the init_lapw to
generate the try wavefuction for the selfconsistent
running. You need to continue running init_lapw
until dstart to generate *.clmsum.

Good luck.

Xiliang Nie

----- Original Message -----
From: Laxmidhar Senapati
<senapl at holmium.cchem.berkeley.edu>
Date: Thursday, October 23, 2003 4:12 pm
Subject: Re: [Wien] Pt atom  in a box

> Hi,
>  I am first time user of wien code.I have recently
downloaded the 
> wien2kand was trying to run with the example files
of TiC. I am 
> encountering some
> problem.
> 
> I had TiC.inst and TiC.struct files in a subdirectory.
> command      output
> init_lapw   next is nn.
> run_lapw    no tic.clmsum(_old) file found, which
is necessary for 
> lapw0 !
> 
> Could anyone tell me what is the problem?
> 
> Thanks
> Lax
> 
> 
> Laxmidhar Senapati
> University of california, Berkeley
> Department of chemistry
> Whaley Group
> 406 Latimer Hall#1460
> Berkeley,CA 94720-1460
> USA
> Ph: 510-643-7128(O)
> Fax:510-643-0003(O)
> 
> 
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