[Wien] Problem with function optimize.
Robert Laskowski
rolask at theochem.tuwien.ac.at
Thu May 15 10:42:43 CEST 2008
hi,
you do not have potential file. Check what was produced by lapw0 (cat lapw0.def).
regards
On Thursday 15 May 2008 10:06:25 Dima Vingurt wrote:
> Hello wien2k users.
> While using the function optimize in phase Be2Ag i have accounted an
> error:
> 'inilpw'- cant open unit: 18
> 'inilpw' - filname: be2Ag_bulk.vsp
> 'inilpw' - status: old form: formatted
> 'lapw1' - inilpw aborted unsuccessfully.
> any suggestion will be welcome.
> Best regards
> Dima V.
>
--
Dr Robert Laskowski
Vienna University of Technology,
Institute of Materials Chemistry,
Getreidemarkt 9/165-TC, A-1060 Vienna
tel. +43 1 58801 15686
Fax +43 1 58801 15698
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