I used but getting again the same error. asverma at asverma-desktop:~/WORK/ni$ runsp_lapw -cc 0.0001 hup: Command not found. LAPW0 END LAPW1 END
> stop error asverma at asverma-desktop:~/WORK/ni$ > Date: Tue, 12 Apr 2011 14:28:50 +0200 > From: Stefaan.Cottenier at UGent.be > To: wien at zeus.theochem.tuwien.ac.at > Subject: Re: [Wien] hup: Command not found. Invalid null command. > > > > -----> do you want to perform a spinpolarized calculation ? (n/y) > > y > > > dstart -up (17:34:12) DSTART ENDS > > 0.7u 0.0s 0:01.32 59.0% 0+0k 0+192io 0pf+0w > > > dstart -dn (17:34:14) DSTART ENDS > > 0.7u 0.0s 0:01.18 66.1% 0+0k 0+192io 0pf+0w > > -----> do you want to perform an antiferromagnetic calculation ? (N/y) > > N > > The output above shows you initialize this as a spin-polarized case, > while the lines hereunder show you run it as being non-spinpolarized: > > > asverma at asverma-desktop:~/WORK/ni$ run_lapw -cc 0.0001 > > hup: Command not found. > > LAPW0 END > > LAPW1 - Error > > Solution: use runsp_lapw rather than run_lapw > > Stefaan > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110412/754815c1/attachment.htm>