[Wien] LAPW0

[georg at chem.au.dk]

Have a look in the output0 file. Does this tell you anything. Maybe LM list
incompatible with cubic structure

 Georg

Quoting fabella <wfabella at niu.edu>:

> Hello,
> 
> I'm running a good size calculation, 32 atom cell.  init_lapw was fine, 
> dstart took an hour, and outputd says i have 160K plane waves.  After 
> init_lapw is done i run_lapw -ec 0.0001 and it stops after 10 sec..  
> Then i look in the files and seems to be a lapw0 error (16kb, "error in 
> lapw0").  I have the pre-compiled version _04.  Is this what may be 
> affecting run_lapw?
> 
> There is enough memory and space on my comp. to run this calc.!!
> Any ideas??
> 
> Wesley 
>   
> 
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-- 
Georg Madsen
Department of Chemistry
Aarhus University
DK-8000 Århus C
Denmark
tlf (+45) 89423885