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- Wed May 29, 2024 7:22 pm
- Forum: General discussion
- Topic: How to choose fermi_energy and fsthick
- Replies: 0
- Views: 4677
How to choose fermi_energy and fsthick
Greetings! I'm having some trouble to run the epw code. My question may seem naive and I will greatly appreciate your response. In nscf calculation I got the highest occupied level= 0.6561 eV and lowest unoccupied level= 2.8025 eV. Then in first epw run got the ibndmin= -0.152 eV and ibndmax= 3.892 ...