[Wien] lapw2 error
McDermott Eamon John Gordon
eamon.mcdermott at tuwien.ac.at
Fri Mar 28 10:18:28 CET 2014
You must run add -up and -dn to your command.
Regards,
--
Eamon
> On Mar 28, 2014, at 10:15 AM, "ben amara imen" <imen.benamara5 at gmail.com> wrote:
>
> Hello,
>
> I'm working on a magnetic compound . I do the SCF (runsp_lapw) and it went well. Then to calculate the DOS, I executed the command ''x lapw2-qtl'' but I have this error in lapw2 !! :
>
> Error in LAPW2
> 'LAPW2' - can't open unit 18
> 'LAPW2' filename : case.vsp
> 'LAPW2' Status : old form : formatted
>
> what can I do to overcome my probleme , can someone helps me please and Thanks in advance
>
> Best Regards
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