Answering myself: it doesn't, since pw2casino is not implemented for noncollinear magnetization. I think that the CASINO code works only for norm-conserving PP, by the way, so you shouldn't use it with either USPP or PAW.
Paolo On Tue, Apr 12, 2016 at 8:05 AM, Paolo Giannozzi <p.gianno...@gmail.com> wrote: > Does it work for a simple 2-atom PbS cell? Paolo > Il 11/apr/2016 08:07 PM, "Henry J Seeley" <hsee...@uoregon.edu> ha > scritto: > >> Hello all, >> >> I keep getting a mysterious error when trying to use the option >> '-pw2casino' on my nscf calculations in an attempt to obtain the >> wavefunctions for my system. All other calculations run smoothly, it's only >> when I use pw2casino that I get this error, which occurs immediately after >> all band energies have been solved: >> >> 'Program received signal SIGSEGV: Segmentation fault - invalid memory >> reference.' >> >> I've tried using '-pw2casino' for two simple test systems: a primitive >> cell of bulk Si and a Si monolayer (pbe-mt_fhi psuedopotential). When I do >> these calculations everything runs smoothly; I get no error and obtain my >> wavefunctions. >> >> Attached is one of the input files that DOES give me the error (PbS >> supercell). I'm guessing this error arises from either the size of the >> system or the psuedopotentials I'm using. >> >> Does anyone know what the issue may be? >> >> Thank you, >> Hank Seeley >> Chemistry Department, University of Oregon >> _______________________________________________ >> Pw_forum mailing list >> Pw_forum@pwscf.org >> http://pwscf.org/mailman/listinfo/pw_forum >> > -- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
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