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parse
pwtools.parse.PwSCFOutputFile
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pwtools.parse.PwSCFOutputFile.default_units
¶
PwSCFOutputFile.
default_units
=
{'energy':
13.605691930242388,
'forces':
25.711031596570347,
'length':
0.52917720859,
'stress':
0.1}
¶