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
an idea about it ?
Best regards,
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Dear Wien2k users,
I'm having trouble calculating multilayer is happening beneath the error.
help.
Calculating fe4n in /home/vandao/meus/fe4n
on Fisica-Host-Wien2k with PID 25611
start (Wed Jan 5 12:29:50 BRST 2011) with lapw0 (40/99 to go)
cycle 1 (Wed Jan 5 12:29:50
the file sub6.vns must be empty !
ls -als *vns
line 20 in rdswar.F is a read statement with an end= exception, so it
should continue when the end of the file is reached.
Otherwise, you can run x lapw0 to produce proper vsp and vns files.
Am 05.01.2011 09:24, schrieb Aboudi Hamouda:
Dear
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