[Wien] Regarding band structure

[sikandar azam]

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 <orubel at lakeheadu.ca>
To: A Mailing list for WIEN2k users <wien at 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_hu at 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 
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