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 _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
