[Wien] Regarding band structure

[Oleg Rubel]

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_hu at 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 <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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