[xcrysden] K-path output

Hud Wahab hudwahab at gmail.com
Wed May 22 18:44:24 CEST 2019


Hello

I am trying to run bandstructure experiment and need to extract the k-path for bands.x.

I opened the output of nscf.out in xcrysden ( see attached ). Chose the k-path, input 300 number of points along the k-path, and saved the file as xcrysden k-path file .kpf. However, the output does not show 300 k-points (see attached).

How do I get that output? please advise

Cheers,

Hud

University of Wyoming
1000 E University Ave
Laramie, WY 82072
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