[Wien] Problem with function optimize.

Lyudmila Dobysheva lyu at otf.pti.udm.ru
Thu May 15 16:00:43 CEST 2008


Thursday 15 May 2008 13:06 Dima Vingurt:
> While using the function optimize  in phase Be2Ag  i have accounted an
> error:
> 'inilpw'- cant open unit: 18
> 'inilpw' - filname: be2Ag_bulk.vsp

It looks like you are doing a non-spin-polarised case but the initialization 
has been done for an sp case. Check your optimize batch file for the 
consistency.

Best regards
Lyudmila Dobysheva
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