Question about fat bands calculation
I want to do some fat bands calculations about my structure.I have compiled fat.But when I finishing my structure optimization and copying some file to do fat bands cal ,it cannot to output results effectively.Here is my result:
Reading wf file: MX_MoS2.WFSX
Minimum/Maximum number of wfs per k-point: 23 23
Min_eigval, max_eigval on WFS file: -19.5639 -9.6388
Min_eigval, max_eigval in band set : -19.5639 -9.6388
Band set used: (min, max): 1 23
MX_MoS2.HSX nnao, no_s, nspin, nh: 151 0 0 0
nnao, no_s...
then it runs over,I want to know whether there is a problem with my input file?
Hope to get your reply!
Question information
- Language:
- English Edit question
- Status:
- Answered
- For:
- Siesta Edit question
- Assignee:
- No assignee Edit question
- Last query:
- Last reply:
Can you help with this problem?
Provide an answer of your own, or ask Jinye Lv for more information if necessary.