[QE-users] alpha Mn

Mashroor Nitol mashroornitol at gmail.com
Thu Nov 15 08:38:17 CET 2018


Dear Researchers:

I am a new user in QE. I want to calculate the band structure of alpha -
 Manganese. For this after doing the scf and nscf caculation I believe I
have to do calculation = 'bands'. But as the input description said,
K_points should be crystal_b for band-structure plots. In that case how can
I select the special k points coordinates and weights? .

Thanks,

Mash
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