[Pw_forum] how to conver to unit of eV/atom in supercell?
Wong Kelvin
wongkc81 at gmail.com
Wed Feb 3 16:59:48 CET 2010
Dear all
when i calculate a single atomc Cu primitive cell, the energy is ~ -87 Ry.
How to convert it to the eV/atom which normally is around -3.7 eV?
Thanks
Wong
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