Geometry relaxation and phonons calculations with unconstrained models #1547
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documentation
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62.5 MB |
sha256:772c73b10313fc1c14df6f492a9eaa7db8089dae5dadef0bd78d33bc8c35d60d
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example-pet-phonons
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1.32 MB |
sha256:7431ffcd3eff13d7bb21378737ee2fc439dc13bded3ee323823de99c29bc3135
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example-pet-relaxation
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278 KB |
sha256:5144ada6ea8c7c20f554b5643f76518e016b5c19fe2626eda8e49ec1448cdb42
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