Interpolating Band Structures
Posted: Wed Nov 27, 2024 3:53 pm
Hello YAMBO developers and users
When I used yambo to calculate the energy band, BOLTZ interpolation method was used in the input file, but NN was displayed at the end of the output file, which definitely affected the generated energy band gap. I wanted to use BOLTZ method to change the temperature at this step in order to obtain the energy band value at different temperatures, but such changes would always occur. Need your help! Hope to reply soon! thank you。
When I used yambo to calculate the energy band, BOLTZ interpolation method was used in the input file, but NN was displayed at the end of the output file, which definitely affected the generated energy band gap. I wanted to use BOLTZ method to change the temperature at this step in order to obtain the energy band value at different temperatures, but such changes would always occur. Need your help! Hope to reply soon! thank you。