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姜天祥新蟲(chóng) (初入文壇)
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[求助]
求教下TDEP計(jì)算高溫聲子的流程 已有2人參與
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| 如題,求教下TDEP計(jì)算高溫聲子的流程。 |
新蟲(chóng) (初入文壇)
新蟲(chóng) (初入文壇)
木蟲(chóng) (著名寫(xiě)手)

版主 (知名作家)
認(rèn)真做事,踏實(shí)做人
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https://github.com/tdep-developers/tdep-tutorials Contents Preparations, file parsing, potentials energy surfaces for testing: here Basic handling of the TDEP binaries: here Self-consistent sampling with sTDEP: here Phonon thermodynamics: here Thermal conductivity: here Spectral functions: here Infrared spectroscopy: here Raman spectroscopy: here |

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