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ttadano / alamode

Ab initio simulator for thermal transport and lattice anharmonicity
http://sourceforge.net/projects/alamode
MIT License
137 stars 54 forks source link

force constants in ShengBTE format #91

Closed ybC007 closed 2 years ago

ybC007 commented 2 years ago

Hello, I find that al provides the 3rd force constants in third_order_py format. May also provide the 4th force constants in fourth_order_py format ? I have tried to add some codes in alm to achieve it, but i'm afraid that there may be some mistake. Thanks a lot!