Parse elastic SCF - Githubissues

oerc0122 / castep_outputs

Parser for CASTEP output files

BSD 3-Clause "New" or "Revised" License

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Open oerc0122 opened 1 year ago

oerc0122 commented 1 year ago

Phonon/Si2-elastic/benchmark.out.castep-23.1.castep-python-1.0.python-3.6.9.inp=Si2-PBE.param

DBJochym commented 9 months ago

CASTEP PR#623 also introduces relaxed ion contributions to elastic constants output and piezoelectric tensors (CASTEP v25+?)