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pwtools.parse.CpmdSCFOutputFile
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pwtools.parse.CpmdSCFOutputFile.default_units
¶
CpmdSCFOutputFile.
default_units
=
{'energy':
27.211383860484776,
'forces':
51.422063193140694,
'length':
0.52917720859,
'stress':
0.1}
¶