[Phonopy-users] How to calculate total DOS, when i already have 'mesh.yaml'.
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From: Kapil G. <kap...@gm...> - 2020-06-22 02:27:32
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Hello All,
Is there a way to load my already generated 'mesh.yaml' file using
'phonopy.load()' , and calculate DOS from there?
I could do it by loading 'phonopy.yaml' file :
phonon = phonopy.load("./phonopy.yaml")
phonon.run_mesh([31,31,31])
phonon.run_total_dos()
phonon.write_total_dos()
However, i am curious to know, if i could skip 'phonon.run_mesh()', as i
already have 'mesh.yaml' file.
I would really appreciate any guidance on it.
Thanks & Regards
Kapil
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