Your approach is correct. I do not see anything wrong. When I run "x spaghetti", this is what I see
SPAGH: Read band energy from case.output1 number of k-points read in case.vector= 51 SPAGH END 0.043u 0.026s 0:00.07 85.7% 0+0k 0+0io 0pf+0w I am curious, why don't you have the 1st line? Is *.output1 in place? Other than that: no idea. Sorry. Oleg On Tue, Sep 10, 2013 at 11:34 AM, sikandar azam <sikandar...@yahoo.com>wrote: > Thanks sir Oleg Rubel, > I alraedy run the command > "x lapw1 -band". > And after that i edited the > edit.case.insp > and after that when i run the > x spaghetti > so i get this > Commandline: *x spaghetti -c* > Program input is: *""* > > number of k-points read in case.vector= 251 > forrtl: severe (174): SIGSEGV, segmentation fault occurred > 0.279u 0.069s 0:00.51 64.7% 0+0k 0+0io 12pf+0w > error: command /home/azam/WIEN2k111-lopw/spaghetti spaghetti.def failed > > > ------------------------------ > *From:* Oleg Rubel <oru...@lakeheadu.ca> > *To:* A Mailing list for WIEN2k users <wien@zeus.theochem.tuwien.ac.at> > *Sent:* Tuesday, September 10, 2013 5:28 PM > *Subject:* Re: [Wien] Regarding band structure > > Did you run "x lapw1 -band" before? If not, the reason can be a mismatch > between your k-list and the vector file. > > I do not want to discourage you, but the band structure for large sells > (supercells) does not look very pretty. The density of states (especially > PDOS) can be more informative. > > Oleg > > On Tue, Sep 10, 2013 at 8:43 AM, sikandar azam <sikandar...@yahoo.com>wrote: > > Hello all > I am facing the problem in plotting the band structure, especially for big > compounds like biological compounds. > I get this problem > Commandline: *x spaghetti -c* > Program input is: *""* > > number of k-points read in case.vector= 251 > forrtl: severe (174): SIGSEGV, segmentation fault occurred > 0.279u 0.069s 0:00.51 64.7% 0+0k 0+0io 12pf+0w > error: command /home/azam/WIEN2k111-lopw/spaghetti spaghetti.def failed > > please some one help me. > thanks in advance > with regards > sikander Azam > > _______________________________________________ > Wien mailing list > Wien@zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > SEARCH the MAILING-LIST at: > http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html > > > > _______________________________________________ > Wien mailing list > Wien@zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > SEARCH the MAILING-LIST at: > http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html > > > > _______________________________________________ > Wien mailing list > Wien@zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > SEARCH the MAILING-LIST at: > http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html > >
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