phonopy/phono3py

Issues

• ImportError of LAPACKE_zheev in starting phono3py

  #228 opened 7 months ago by FurinaWai77
  3

• [FEATURE] Add support for BLAS and LAPACK libraries discovery

  #227 opened 7 months ago by ccoulombe
  5

• Alternatives to `lapacke.h`

  #300 opened 12 days ago by LecrisUT
  6

• Publish pre-compiled wheels to PyPI

  #295 opened 20 days ago by janosh
  7

• Sequential atom index in third order force constants

  #283 opened 2 months ago by rfhari
  1

• Non Gamma point FC3 calculation at unitcell level

  #282 opened 2 months ago by rfhari
  1

• Converting phono3py's generated force constants into ShengBTE inputs

  #235 opened 6 months ago by Amrt4696
  1

• AttributeError: 'Phono3py' object has no attribute 'force_constants'

  #26 opened 5 years ago by xiangpan2017
  11

• Feature request for boundary scattering model

  #185 opened a year ago by akentphonon
  2

• Help: massive number of POSCAR-xxxxx produced by phono3py

  #175 opened a year ago by LePingKYXK
  4

• Install phono3py on Mac with Intel ICC and MKL

  #11 opened 6 years ago by weixie4
  11

• Cannot pip download source

  #99 opened 3 years ago by ccoulombe
  15

• pip install phono3py fails because site.cfg not found

  #130 opened 2 years ago by Youjin1985
  1

• "disp_fc3.yaml" was not found.

  #111 opened 3 years ago by haohuaijin
  2

• Phono3py installation issues

  #81 opened 3 years ago by constance671
  4

• compatbility with phono3py-kaccum is broken when using winger option

  #100 opened 3 years ago by akentphonon
  1

• index # is out of bounds for axis 0 with size #

  #82 opened 3 years ago by sinazadeh
  3

• phonopy and phono3py find different number of phonon displacements

  #62 opened 3 years ago by bernstei
  6

• simulating antiferromagetic structure in phono3py

  #53 opened 3 years ago by akentphonon
  5

• Temperature dependent Phonon band structure

  #46 opened 3 years ago by shahid-sattar
  1

• phono3py --cf3-file options broken

  #44 opened 4 years ago by akentphonon
  13

• phono3py-kaccum error importing grid methods

  #45 opened 3 years ago by NightlyJonny
  3

• slow speed in generating displacements

  #42 opened 4 years ago by alinelena
  7

• Mistakes in the doc of hdf5 files

  #43 opened 4 years ago by panasee
  13

• Another problem with pypy conda package

  #40 opened 4 years ago by jochym
  4

• create too many displacements

  #12 opened 6 years ago by zichangyibeizi
  4

• magetic structure in phono3py

  #38 opened 5 years ago by akentphonon
  3

• Phono3py Installation Problems

  #37 opened 5 years ago by Chengtang-qut
  4

• calculation of gruneisen parameters seems to be broken

  #35 opened 5 years ago by akentphonon
  3

• obtaining forces and energies from FORCES_FC3 / fc2.hdf5 / fc3.hdf5

  #5 opened 5 years ago by glensk
  9

• `--cutoff-pair` fails for non-VASP calculators

  #34 opened 5 years ago by atztogo
  1

• Question about Phono3py

  #33 opened 5 years ago by weiyidan
  1

• --write-gamma do not work with the direct solution of LBTE

  #31 opened 5 years ago by panxiang2019
  4

• phonon lifetime

  #30 opened 5 years ago by Nileme
  4

• kaccum error

  #27 opened 5 years ago by Movaffaq
  2

• the frequency range of JDOS question

  #29 opened 5 years ago by jialinji
  4

• How to test --sigma and --sigma-cutoff

  #28 opened 5 years ago by xiangpan2017
  2

• Several bugs in the latest version.

  #25 opened 5 years ago by lyuwen
  5

• Scattering rate between two phonon modes.

  #23 opened 5 years ago by fbcrs
  1

• Identical displacements in displacement dataset

  #22 opened 6 years ago by tpurcell90
  3

• can not obtain the fc3 in the phono3py

  #20 opened 6 years ago by JustusLiang
  2

• Compression when writing forceconstants to hdf5

  #19 opened 6 years ago by erikfransson
  7

• Importing fc3 using the Python API

  #18 opened 6 years ago by mesonepigreco
  2

• How to calculate three-phonon scattering phasespace in Phono3py ?

  #17 opened 6 years ago by weileiweilei
  4

• How to calculate three-phonon scattering phase space in Phono3py ?

  #16 opened 6 years ago by weileiweilei
  3

• Converting between Phono3py and ShengBTE

  #10 opened 6 years ago by ceducation1
  6

• Error arises when creating fc2.hdf/fc3.hdf and calculating thermal conductivity

  #8 opened 7 years ago by crf1989
  8

• Can we calculate a band index contributing to intrinsic thermal conductivities at phono3py code?

  #7 opened 7 years ago by Nileme
  3

• ImportError: symmetrize_compact_force_constants

  #6 opened 7 years ago by foxik0070
  5

• Obtaining phonon linewidths/lifetimes along reduced wave vector

  #4 opened 7 years ago by glensk
  2