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scnc
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phonopy
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https://github.com/phonopy/phonopy.git
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302e7d679d
phonopy
/
example
/
Si-TURBOMOLE
/
example-001
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Atsushi Togo
d0cb626b0f
Refactoring using formatter
2021-10-17 08:11:06 +09:00
..
auxbasis
TURBOMOLE example: renamed pre-calculated data directory from
2020-02-27 22:28:08 +02:00
basis
TURBOMOLE example: renamed pre-calculated data directory from
2020-02-27 22:28:08 +02:00
control
TURBOMOLE example: renamed pre-calculated data directory from
2020-02-27 22:28:08 +02:00
coord
TURBOMOLE example: renamed pre-calculated data directory from
2020-02-27 22:28:08 +02:00
energy
TURBOMOLE example: renamed pre-calculated data directory from
2020-02-27 22:28:08 +02:00
gradient
TURBOMOLE example: renamed pre-calculated data directory from
2020-02-27 22:28:08 +02:00
supercell-001.out
Refactoring using formatter
2021-10-17 08:11:06 +09:00