[Wien] why no case.vector prouduced by run_lapw or x lapw1?

Bing Zhou luxunca at yahoo.ca
Fri May 10 15:46:09 CEST 2013


Dear Oliver Albertini,
I found the case.vector at the scratch directory as you suggested, many thanks!
Best wishes,
Bing
 

From: Oliver Albertini <ora at georgetown.edu>
To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at> 
Sent: Wednesday, May 8, 2013 3:50:14 AM
Subject: Re: [Wien] why no case.vector prouduced by run_lapw or x lapw1?



case.in5 is created by the user. You can get one in the UG TiC example.  

Check the scratch directory if you don't see case.vector:

ls $SCRATCH





On Tue, May 7, 2013 at 5:35 AM, Bing Zhou <luxunca at yahoo.ca> wrote:

Dear all,
>I am running WIEN2k on a new cluster now, however, when I tried to plot electron density, there is neither case.in5 or case.vector file produced by "x lapw1" and "run_lapw".
>Could you please help me out with the electron density plotting procedure?
>Many thanks!Bing
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