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Parse elastic SCF #112

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oerc0122 opened this issue Oct 20, 2023 · 1 comment
Open

Parse elastic SCF #112

oerc0122 opened this issue Oct 20, 2023 · 1 comment
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enhancement New feature or request

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@oerc0122
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Phonon/Si2-elastic/benchmark.out.castep-23.1.castep-python-1.0.python-3.6.9.inp=Si2-PBE.param
@oerc0122 oerc0122 added the enhancement New feature or request label Oct 20, 2023
@DBJochym
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DBJochym commented Feb 6, 2024

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

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@oerc0122 @DBJochym