abelcarreras/DynaPhoPy

Issues

• Warning, fitting failed.

  #36 opened 15 days ago by jxsun-netizen
  1

• cannot output quasiparticle data by -sdata

  #35 opened 2 months ago by zhangxiaoyu2046
  1

• MD ensemble selection

  #32 opened 7 months ago by 1041176461
  2

• The program shows an error！

  #31 opened 7 months ago by Liang1Kai
  4

• Output renormalized FORCE_SETS

  #30 opened 7 months ago by chejunwei2
  2

• How to run the dynaphopy by openmp

  #9 opened 4 years ago by ZengZezhu
  4

• Whether the dynaphopy can be applied to calculate the phonon lifetime vs frequency?

  #29 opened 9 months ago by Guancred
  2

• Some questions about the calculation of phonon free energy with dynaphopy

  #27 opened a year ago by Lweiweij
  17

• size is increased, after trajectory in the format of lammps is transfered to the format of hdf5

  #26 opened a year ago by XIANG-Xing
  2

• option to modify symprec=1e-5 for force constant symmetrization

  #28 opened a year ago by bobleesj
  2

• Question on Installation

  #25 opened a year ago by LePingKYXK
  6

• Can you tag on github when pip releases a new version？

  #24 opened a year ago by yuhldr
  1

• No module named 'phonopy'

  #23 opened 2 years ago by thliu-hust
  3

• Full power spectra becomes noisier with increasing simulations length + odd behaviour with temperature

  #22 opened 2 years ago by gabkrenzer
  7

• Setup.py fails on Mac because erroneously detecting Windows

  #21 opened 2 years ago by mcallsen
  2

• No hdf5 parser in dynaphopy.interface.iofile.trajectory_parsers

  #20 opened 2 years ago by gabkrenzer
  2

• Atomic order in POSCAR and the data file

  #19 opened 2 years ago by ZhangMin-qq
  4

• Error occurred when running GaN_lammps in examples.

  #18 opened 2 years ago by ZhangMin-qq
  2

• Divergence of the power spectra with the larger supercell

  #17 opened 2 years ago by ballal09
  10

• calculation on anharmonicity of amorphous using DynaPhopy

  #15 opened 3 years ago by KunHeeYe
  3

• 4 - Frequency vs linewidth (interpolated mesh)

  #14 opened 3 years ago by Leo-678
  10

• Still running into problems with NBLOCK

  #12 opened 3 years ago by gabkrenzer
  88

• The output of blank picture of phonon dispersion

  #13 opened 3 years ago by Leo-678
  7

• DynaPhoPy does not take NBLOCK into account

  #11 opened 4 years ago by gabkrenzer
  6

• The error when run the dynaphopy

  #8 opened 5 years ago by ZengZezhu
  7

• RuntimeError when trying to project power spectra on phonon mode

  #7 opened 5 years ago by DjordjeDangic
  6

• How to use DynaPhoPy as a python module?

  #5 opened 6 years ago by gooaah
  1

• unittest failure `test_force_constants_self_consistency` in `Si_test.py`

  #4 opened 7 years ago by bjmorgan
  7

• Maxwell-Boltzmann distribution analysis does not fit well

  #2 opened 7 years ago by wenlibin02
  4