[Wien] Regarding band structure

Lyudmila Dobysheva lyuka17 at mail.ru
Wed Sep 11 12:59:18 CEST 2013


11.09.2013 14:33, sikandar azam пишет:
> I checked the the case.scfi and i have 28 eigen valves. And the number
> of selected k-points 252. and dear sir Arshad i didn't run in the parallal.

Earlier there was Nk=251:

 >  >>          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

Maybe here is the problem?

Dear Sikander,

better send us more info: struct, klist (that was used for calculation), 
insp, and scf1 files, and lapw1.error if it is nonzero.

Best wishes
   Lyudmila Dobysheva
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