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- From: Carlos Ortiz <caortiz76@gmail.com>
- To: forum@abinit.org
- Subject: nbandkss with PAW
- Date: Mon, 14 May 2007 16:07:09 +0200
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dear users,
i am trying to generate a kss file for diamond, using the provided 6c_lda.paw file.
when setting:
nbandkss -1
the input parameters pass the internal checks for consistency and then i get the error message:
" leave_new : decision taken to exit ..."
using the 6c.pspnc pseudopotential file instead, everything works fine.
are there some extra parameters needed to be set for the generation of a kss file from 6c_lda.paw?
regards
carlos
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tpaw_diam.in
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- nbandkss with PAW, Carlos Ortiz, 05/14/2007
- Re: [abinit-forum] nbandkss with PAW, Masayoshi Mikami, 05/15/2007
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