[Wien] probably solving the case with problem of CYZ lattice and supercell

Tomas Kana kana at seznam.cz
Wed Sep 10 11:39:36 CEST 2014


Hello Sikander,

I was thinking about the problem and I am sure that you have probably 
again run the init_lapw script and accepted the suggestions it gives to you.
I think you must be sure that the structure file you specify as input file in 
x supercell is Primitive unit cell and not CYZ unit cell. 
Was this the case? 
Best regards
Tomas

Dear Tomas
I changed CYZ by P, but it does not work.
with best regards
sikander

Dear All please help me
I am making the supercell,
when i give 
x supercell command 
then i get this problem
Filename of struct file:
case.struct
 Fatal Error occured:

 Unknown lattice type: CYZ
 Program terminated.



0.000u 0.008s 0:14.57 0.0%      0+0k 0+0io 0pf+0w
with
regards
sikander




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