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
