[Wien] strange results from 2 klist
fatemeh.mirjani
f_mirjani at ph.iut.ac.ir
Sun Oct 19 17:58:08 CEST 2008
I think there is a point about klist which I don't know.
the 1st klist has produced by my program and the 2nd one has produced by WIEN2k . I don't know why WIEN has written the non-reduced klist in this shape. since if I add the points of klist2 with the vectors such as (0,0,1) or (0,1,0) or (1,0,0) all points are equall to (0,0,0) & (0.5,0.5,0.5) so these points has repeated with a vague reason!!!
Is the using Klist1 true in getting the results from WIEN2k? or maybe the klist changes with a factor during the execution which I don't know!
Please let me know if there is anyone who has any comment or suggestion.
Thanks in advance.
Fatemeh
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|Fatemeh Mirjani | Email: f_mirjani at ph.iut.ac.ir |
|Computational Condensed Matter Research Lab. | Tel/Fax Office: +98311-3913746 |
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