Discussions

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  How to lower the RESIDUAL and fix the problem with α selection

  Ztao0210 asked Jun 28, 2026 in Q&A · Unanswered

  

  

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  Question regarding the use of different supercell sizes for harmonic and anharmonic parts

  czp520 asked Jun 26, 2026 in Q&A · Unanswered

  

  

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  The conventional cell is used to obtain higher order force constants

  ZhunyunTang asked Aug 17, 2024 in Q&A · Unanswered

  

  

  

  

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  Imaginary phonon modes appearing at high temperatures in SCPH calculations

  kamalwahhid-cyber asked May 9, 2026 in Q&A · Unanswered

  

  

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  Dynamical matrix of amorphous system

  squirmingToad asked Apr 14, 2026 in Q&A · Unanswered

  

  

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  Abnormal thermal conductivity

  sabofavian829-eng asked May 4, 2026 in Q&A · Unanswered

  

  

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  Effective Cubic Coupling Between Modes?

  irrotational started Mar 20, 2026 in General

  

  

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  KMESH for bubble self-energy?

  djasrasaria asked Apr 7, 2026 in Q&A · Unanswered

  

  

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  How to setup crystals where same atomic specifics have different charge

  ejmeitz asked Dec 9, 2025 in Q&A · Unanswered

  

  

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  Strange kinks in phonon dispersions for acoustic modes near gamma point when including bubble correction

  vivekgusain09 asked Dec 19, 2025 in Q&A · Unanswered

  

  

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  Question on Grüneisen parameters in ALAMODE

  LiuHaoXuan0403 started Apr 2, 2026 in General

  

  

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  isotope scatterings contribution

  kamalwahhid-cyber started Feb 26, 2026 in Ideas

  

  

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

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

  

  

  

  

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  Bubble self-energy

  apandit2021 asked Aug 6, 2021 in Q&A · Unanswered

  

  

  

  

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  Cell+atom relaxation with scph without 4th order FC

  Vahid999 asked Apr 6, 2026 in Q&A · Unanswered

  

  

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  Temperature-dependent volume from self-consistent phonon

  Vahid999 asked Apr 2, 2026 in Q&A · Unanswered

  

  

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  Thermal conductivity

  kamalwahhid-cyber asked Jan 2, 2026 in Q&A · Unanswered

  

  

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  Full dynamical matrix from SCPH calculations

  h-ehteshami asked Jan 8, 2026 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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  PROBLEM WITH CONVERTED SECOND ORDER HARMONIC FORCE CONSTANTS

  vivekgusain09 asked Dec 5, 2025 in Q&A · Unanswered

  

  

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  How to covert the Phonopy format force constant file FORCE_CONSTANTS to the Alamode format force constant file xxx.xml?

  kingsleylee1203 asked Nov 1, 2025 in Q&A · Unanswered

  

  

  

  

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  After incorporating Born effective charges, the finite-temperature phonon spectrum calculated by SCP shows a softening.

  wwd12138 asked Sep 17, 2025 in Q&A · Unanswered

  

  

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  When conducting cross-validation calculations; The program was terminated by the terminal.

  dengmou123 asked Sep 18, 2025 in Q&A · Answered

  

  

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  Questions about renormalized 2nd-constants

  Grover-Hu asked Dec 21, 2023 in Q&A · Unanswered

  

  

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  Alm and SCPH input files for monolayers

  kruparajai asked Nov 7, 2025 in Q&A · Unanswered

  

  

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