[ase-users] What is the harmonicthermo-vib.eq.pckl used for?

岑望来 cenwanglai at 163.com
Mon Feb 5 18:07:02 CET 2018


Hi, guys,


I have run HarmoniThermo with vasp in ASE for free energy of a cluster including several molecules.


There are a great many files outputed named as harmonicthermo-vib.0x+.pckl and a file named harmonicthermo-vib.eq.pckl.


What are they and how to use them? How can I depress the output?


Wanglai
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