And after that i edited the edit.case.insp
What did you do at this step ? Did your replace the "xxx" by your actual fermi energy ?
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 <mailto: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 <mailto: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 <mailto: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
-- ----------------------------------------- Peter Blaha Inst. Materials Chemistry, TU Vienna Getreidemarkt 9, A-1060 Vienna, Austria Tel: +43-1-5880115671 Fax: +43-1-5880115698 email: pbl...@theochem.tuwien.ac.at ----------------------------------------- _______________________________________________ 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
