[Pw_forum] More ncpp2upf and fhi2upf

J. J. Ramsey jjr19 at uakron.edu
Wed Aug 19 22:49:23 CEST 2009


----- Original Message ----

> From: Eric J. Walter <ejwalt at wm.edu>
> To: PWSCF Forum <pw_forum at pwscf.org>
> Cc: opium-talk at lists.sourceforge.net
> Sent: Wednesday, August 19, 2009 3:25:03 PM
> Subject: Re: [Pw_forum] More ncpp2upf and fhi2upf
> 
> 
> Hi,
> 
> I have used fhi2upf.x for conversion of an fhi psp with both semicore 
> and augmentation operators.  Perhaps you could send me your output from 
> fhi2upf?

How do you get it to handle semicore? The documentation at the top of fhi2upf.f90 lists "no semicore states" as one of the restrictions of the program.



      



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