[Wien] volume optimization

[Peter Blaha]

Do you have a spin-polarized case and did not modify optimize.job
to change from run_lapw to runsp_lapw ??

sandeep chettri schrieb:
> In the volume optimization how to solve the following error in the 
> performing run optimize.job
> 
> /The error file is in lapw1.error,/
> /The message in it is/
> 
> 'INILPW' -can't open unit:18
> 'INILPW' -        filename: case_vol.vsp
> 'INILPW' -           status: old                     form: formated
> 'LAPW1'  - INILPW aborted unsucessfully.
> 
> 
> 
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-- 
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Peter Blaha
Inst. Materials Chemistry, TU Vienna
Getreidemarkt 9, A-1060 Vienna, Austria
Tel: +43-1-5880115671
Fax: +43-1-5880115698
email: pblaha at theochem.tuwien.ac.at
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