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