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by nurulahadakil
Wed May 29, 2024 7:22 pm
Forum: General discussion
Topic: How to choose fermi_energy and fsthick
Replies: 0
Views: 3280

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 ...