Can alm transfer 2nd force constant file to the format of phonopy? #123
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FC3_SHENGBTE can store 3rd force constant file for ShengBTE. Then, can alm transfer 2nd force constant file to the format of phonopy (FORCE_SETS or FORCE_CONSTANTS)? |
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While this feature is not supported in alamode, it can be done easily by using the Python wrapper of ALM available at https://github.com/ttadano/ALM. An example of creating a phonopy-readable FC2 file can be found at https://github.com/ttadano/ALM/tree/develop/example/AlN. |
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Thanks. Is ALM another code? I have installed alamode sucessfully. But when I type "import alm" in python, it tells me there is no such module. |
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Please install the ALM python library following the instruction of https://alm.readthedocs.io/en/develop/. |
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While this feature is not supported in alamode, it can be done easily by using the Python wrapper of ALM available at https://github.com/ttadano/ALM. An example of creating a phonopy-readable FC2 file can be found at https://github.com/ttadano/ALM/tree/develop/example/AlN.