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Update README.md
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SergeevGregory authored Dec 27, 2024
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Expand Up @@ -24,7 +24,7 @@ Using 11x11x11 sampling mesh, lattice thermal conductivity is calculated by
is calculated as 119.1 W/m-K at 300 K. This becomes, with 19x19x19 sampling
mesh, 128.1 W/m-K.

The .scf files for supercells are found in `supercell_out.tar.lzma`. If phono3py
The .scf files for supercells are found in `supercell_out.zip`. If phono3py
is properly installed, the following command should work.

```
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