Thermal conductivity from BTE #696
Replies: 5 comments
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There is already a fast GPU-based BTE code called I think there is no need for |
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Perhaps, it would still be helpful to have another independent GPU implementation of the BTE code. Different implementation may have different efficiency. And it would be nice to couple the BTE code with NEP. NEP-BTE should be able to achieve the accuracy of DFT-BTE, with much less computational cost. |
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Look forward to NEP-BTE. :-) |
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OK, but this will have very low priority! |
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OK. Understood. Thanks. |
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Calculating the lattice thermal conductivity based on the Boltzmann transport equation (BTE) and lattice dynamics (harmonic and anharmonic).
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