Discussions

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  A question about CV for 4th IFC

  gangliu-github asked Apr 29, 2024 in Q&A · Unanswered

  

  

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  The qha free energies obtained by pure harmonicty and scph are different

  gangliu-github asked Apr 26, 2024 in Q&A · Answered

  

  

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  phonon spectral function

  DFT13 started Apr 26, 2024 in General

  

  

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  V3 Matrix from Scattering Rates

  ejmeitz asked Apr 23, 2024 in Q&A · Unanswered

  

  

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  How to convert a second-order force constant matrix obtained by almode to FORCE_CONSTANTS in phonopy format

  zhangyuwen984 asked Apr 8, 2024 in Q&A · Unanswered

  

  

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  Residual errors and 2nd order IFCs

  RicardoCecconello asked Apr 12, 2024 in Q&A · Unanswered

  

  

  

  

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  Recommended way to use external force constants with ANPHON

  ejmeitz asked Mar 19, 2024 in Q&A · Unanswered

  

  

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  Unexpected imaginary frequencies during the SCPH calculation

  Lamed-git asked Apr 8, 2024 in Q&A · Unanswered

  

  

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  How to plot Cumulative kappa using frequency as x axis rather than mfp?

  abchaoming1 asked Apr 5, 2024 in Q&A · Unanswered

  

  

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  alm CV.in process is very slow, are there any strategies to speed it up?

  chunweizhu asked Apr 2, 2024 in Q&A · Closed · Unanswered

  

  

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  renormalised 2nd order force constants

  dyang2103 asked Apr 4, 2024 in Q&A · Answered

  

  

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  Segmentation fault (core dumped) error during the 3rd order Force constant calculation

  ballal09 asked Oct 6, 2021 in Q&A · Answered

  

  

  

  

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  Using different supercell size for FC2 and FC3

  m-a-saleh asked Mar 29, 2024 in Q&A · Closed · Answered

  

  

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  NBODY in 2nd order IFCs

  RicardoCecconello asked Mar 26, 2024 in Q&A · Answered

  

  

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  How to use the force constant to fit the energy of the system？

  Lamed-git asked Mar 26, 2024 in Q&A · Unanswered

  

  

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  Method for the Thermal Conductance Calculation

  ksauni asked Mar 22, 2024 in Q&A · Unanswered

  

  

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  How to select the bubble parameter value

  Lamed-git started Mar 11, 2024 in General

  

  

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  Large residual errors with AIMD data

  RicardoCecconello asked Mar 10, 2024 in Q&A · Answered

  

  

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  Install using conda : alm work ,but anphon don't work

  cancer521 asked Jun 14, 2023 in Q&A · Unanswered

  

  

  

  

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  Symmetrization of the Dynamical Matrix for the Thermal Property Calculation

  ksauni started Feb 13, 2024 in General

  

  

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  compile problem

  lpham01 asked Dec 27, 2022 in Q&A · Unanswered

  

  

  

  

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  Grid in ANPHON (KPMODE = 2)

  RicardoCecconello asked Feb 1, 2024 in Q&A · Answered

  

  

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  Unity of energies

  RicardoCecconello asked Jan 20, 2024 in Q&A · Answered

  

  

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  DFSET from AIMD

  RicardoCecconello asked Jan 5, 2024 in Q&A · Unanswered

  

  

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  Queries about SCPH calculation

  ballal09 started Dec 16, 2023 in General

  

  

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