Dear Developers,
I have successfully obtained the lattice thermal conductivity of a material using AICON2, Quantum ESPRESSO and phonopy, and published a paper (First-principles study on the structural, electronic, elastic and thermal properties of Ag2O2S, 2023).
I want to calculate the relaxation time and transport propertiesof electrons using AICON2 and Quantum ESPRESSO, but it seems that only energy band of vasprun.xml data can be read using AICON2. Do you have any scripts that support reading QE energy band files?
Dear Developers, I have successfully obtained the lattice thermal conductivity of a material using AICON2, Quantum ESPRESSO and phonopy, and published a paper (First-principles study on the structural, electronic, elastic and thermal properties of Ag2O2S, 2023).
I want to calculate the relaxation time and transport propertiesof electrons using AICON2 and Quantum ESPRESSO, but it seems that only energy band of vasprun.xml data can be read using AICON2. Do you have any scripts that support reading QE energy band files?
Looking forward to hearing from you. Thank you.
Q Li