[QE-users] phono3py
tanmay chaki
tanmaychaki at gmail.com
Thu Jul 2 07:59:42 CEST 2020
I wish to calculate the lattice thermal conductivity by phono3py using QE.
What will be the steps for this? I am working on a ternary skutterudite
which has 17 atoms per molecule. So is the calculation possible in a 2*10
core xenon prosessor based based work station with 64 gb RAM?
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