Discussions

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  Question About Differences Between Phonopy and SSCHA Harmonic Phonon Dispersions

  masoumehmahmodi-debug started Dec 10, 2025 in General

  

  

  

  

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  Question About Continuing SSCHA Minimization After MAX_ITERATIONS

  masoumehmahmodi-debug asked Nov 25, 2025 in Q&A · Answered

  

  

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  Third order force constants with external thermal calculators

  lishouhang123456 asked Nov 28, 2024 in Q&A · Answered

  

  

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  In the third example of sscha, the symmetry of the q-point does not match in the third step.

  WanshengBai asked Nov 20, 2025 in Q&A · Unanswered

  

  

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  New Release 1.5 of SSCHA

  mesonepigreco started Nov 21, 2025 in General

  

  

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  Imginary phonons obtained by auxiliary matrices

  hellolori started Jun 5, 2025 in General

  

  

  

  

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  Convergence Issues in the minimization of free energy

  hellolori asked Aug 24, 2025 in Q&A · Unanswered

  

  

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  Question about parallelization of get_free_energy_hessian in SSCHA

  anyi-mxh asked Aug 31, 2025 in Q&A · Answered

  

  

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  Inquiry on Parallelization for SSCHA Calculation and GAP machine-learning potential

  anyi-mxh asked Aug 23, 2025 in Q&A · Answered

  

  

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  What is the unit of free energy gradient with respect to dynamical matrix?

  gooaah started Aug 13, 2025 in General

  

  

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  The influence of cell expansion on the calculation about anharmonic phonon

  LHDphy started Aug 7, 2025 in General

  

  

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  Population1_ensemble has no imaginary freuquency, but population2_ensemble has it. Why?

  LHDphy started Jul 28, 2025 in General

  

  

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  Problems that occur during the installation process

  Zanthoxylum started Jul 18, 2025 in General

  

  

  

  

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  phonon_angular

  bcai0411 asked Jul 20, 2025 in Q&A · Unanswered

  

  

  

  

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  SSCHA 2023 school tutorial 7: material link expired

  alpinnovianus started Jul 12, 2025 in General

  

  

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  Trouble with elph matrix calculations when I use the ibrav=0

  jgSi1113 asked Jun 18, 2025 in Q&A · Closed · Answered

  

  

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  ASR for 1D system in the Hessian calculation

  lishouhang123456 asked Apr 15, 2025 in Q&A · Unanswered

  

  

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  How to slove " you are out of the statistical sampling"

  Guodonglin-cqust asked Mar 13, 2025 in Q&A · Unanswered

  

  

  

  

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  SSCHA for free energy minimization

  anyi-mxh asked Apr 9, 2025 in Q&A · Unanswered

  

  

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  Question about the theory of free energy minimization

  biglinn asked Dec 16, 2024 in Q&A · Answered

  

  

  

  

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  LO-TO splitting in SSCHA

  JonathanSchmidt1 asked Jul 30, 2024 in Q&A · Unanswered

  

  

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  Discrepancy in q-point Coordinates Between ph.x and SSCHA Calculations

  Guodonglin-cqust started Mar 18, 2025 in General

  

  

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  Unable to run qe-5.1.0_elph/elph_fc.x

  WeiChiehSu asked Mar 10, 2025 in Q&A · Unanswered

  

  

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  Tutorial for quantum variable cell relaxation of LaH10

  anyi-mxh asked Feb 21, 2025 in Q&A · Unanswered

  

  

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  What is the physical origin of the difference between AUXILIARY and HESSIAN matrices?

  jgSi1113 asked Feb 8, 2025 in Q&A · Answered

  

  

  

  

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