[Wien] about x lapw1 -nmat_only

[Peter Blaha]

case.vsp is generated by lapw0 in the first scf cycle.

ls -als *vsp*

You should see case.vsp_st (generated by lstart) and
cp case.vsp_st case.vsp
x lapw1 -nmat_only

Am 05.01.2011 09:05, schrieb Aboudi Hamouda:
> Dear Wien2k developers and users,
>
> I am trying to run a openmpi calculation but first I need to estimate
> the Wien2k memory requirements.
>
> I read that we need to use 'x lapw1 -nmat_only'. Si I have made the
> init_lapw process and after I wrote x lapw1 -nmat_only. I have the
> following errors
>
> x lapw1c -nmat_only STOP LAPW1 - Error
>
> 0.000u 0.000s 0:00.00 0.0% 0+0k 0+0io 0pf+0w
>
>
> and when I edit the error file
>
> cat lapw1.error
>
> Error in LAPW1
>
> 'INILPW' - can't open unit: 18
>
> 'INILPW' - filename: W100_pentacene.vsp
>
> 'INILPW' - status: old form: formatted
> 'LAPW1' - INILPW aborted unsuccessfully.
>
> Someone can tell me if I have to change something in the sentence or add
> new commands.
>
>
>
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-- 
Peter Blaha
Inst.Materials Chemistry
TU Vienna
Getreidemarkt 9
A-1060 Vienna
Austria
+43-1-5880115671