[Pw_forum] Transport Properties

Amreen Bano banoamreen.7 at gmail.com
Fri Aug 21 12:03:42 CEST 2015


Dear all,

I am working on transport properties using wannier package. I have
performed its example of BaTiO3 successfully. But when I move onto my
material, scf and nscf run easily in which i have taken 4 4 4 k-point grid
in scf and the k points generated in scf output i put then in nscf input.
the same k points i put in xxx.win input and when i use wannie90.x -pp it
says non-syemmetric k-points neighbors. Can anyone help me a solution for
this.

Thanks in advance

-- 
Amreen Bano
Department of Physics,
Barkatullah University,
Bhopal-462 026
INDIA
+91-7805081167
banoamreen.7 at gmail.com
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