[Pw_forum] wannier_ham.x: setting up the input file

Wang Riping wangriping at outlook.com
Fri Apr 22 14:37:24 CEST 2016


Dear Prof. Korotin


I am going to set the parameter for the input file of wannier_ham.x.
Thank you very much for last reply.

This following part is copied from the example file for NiO shipped with quantum ESPRESSO:
WANNIER_AC
 Wannier# 1 2 9
 atom 1
 d 1 1.0

1. What why it is starting from 2 to 9 orbitals, not from 1 to 9?
2. what is the 1.0 in the last line? How to set it?


Thank you very much.
Wang Riping
20164.22





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