Comments (4)
atztogo
commented on August 16, 2024
See https://atztogo.github.io/phono3py/cutoff-pair.html
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atztogo
commented on August 16, 2024
I will close this issue. Please reopen if you need.
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rriti8354
commented on August 16, 2024
Respected Togo sir, I want to calculate lattice thermal conductivity by phono3Py with vasp. My system contain 2atom in a unit cell but with dim=331 it gives 600+ files and for each file displacement calculation takes lots of time.Sir how to get rid of this please suggest me the value of --cutoff pair distance too for my system .
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atztogo
commented on August 16, 2024
Please send your question to the phonopy mailing list.
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