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Commits on Sep 29, 2024

• Add Publications using VaspBandUnfolding

  QijingZheng

  committed
  efd1e9a

Commits on Jul 4, 2024

• [vaspwfc.py] bugfix after adding _efermi

  QijingZheng

  committed
  d6d3559

• [vaspwfc.py] add _efermi

  QijingZheng

  committed
  8975f6c

Commits on Mar 8, 2024

• [unfold.py] add write_sw for exporting unfolding data

  QijingZheng

  committed
  823fb47

Commits on Dec 4, 2023

• Merge pull request #25 from KNU-Hongkee/python3.10_support

  Show description for 1f933d7
  QijingZheng

  authored
  1f933d7

Commits on Dec 3, 2023

• Update procar.py

  Show description for 49cc844
  bluehope

  authored
  49cc844

Commits on Oct 22, 2023

• Merge pull request #24 from Ionizing/master

  Show description for 5bc6059
  QijingZheng

  authored
  5bc6059

Commits on Oct 21, 2023

• Merge branch 'master' of github.com:Ionizing/VaspBandUnfolding

  Ionizing

  committed
  8b1206e

• [coulomb_integral.py] Move HARTREE constant into coulomb_correction.py

  Ionizing

  committed
  d58ac1c

• Merge branch 'master' into master

  Ionizing

  authored
  9c6aac0

• [coulomb_correction.py] add PAW coulomb correction calculation

  Show description for 7828a86
  Ionizing

  committed
  7828a86

Commits on Oct 20, 2023

• [.gitignore] add dist/

  Ionizing

  committed
  6c20265

Commits on Oct 19, 2023

• [paw.py] add parser for Z and zval

  Show description for 6b0e3ed
  Ionizing

  committed
  6b0e3ed

• [.gitignore] add build and PyVaspWfc

  Ionizing

  committed
  619cc30

• [paw.py] add aechg and pschg

  Ionizing

  committed
  d0deebc

Commits on Aug 31, 2023

• [coulomb_integral.py] add comment to explain

  Ionizing

  committed
  ef59163

• [coulomb_integral.py] PWCI test passed

  Ionizing

  committed
  312a434

Commits on Aug 30, 2023

• [examples/coulomb_integral] add example files for coulomb_integral

  Ionizing

  committed
  db85d0c

Commits on Aug 28, 2023

• [coulomb_integral.py] inside_rcomp=True

  Ionizing

  committed
  09eb698

Commits on Aug 23, 2023

• [coulomb_integral.py] fix typos

  Ionizing

  committed
  51ca721

• [coulomb_integral.py] polishing, issue not solved

  

  Ionizing

  committed
  0d51cf3

Commits on Aug 12, 2023

• [aewfc.py] bugfix for get_moment_mat in NCL version

  QijingZheng

  committed
  43a5a4f

Commits on Aug 11, 2023

• [coulomb_integral.py] finish CoulombIntegral, not tested yet

  

  Ionizing

  committed
  1ff3a27

Commits on Aug 8, 2023

• remove .swp file

  QijingZheng

  committed
  7278e66

Commits on Aug 6, 2023

• [coulomb_integral.py] fix comment equation

  Ionizing

  committed
  31b959e

Commits on Aug 1, 2023

• [coulomb_integral.py] prettify comments

  

  Ionizing

  committed
  8e29f98

Commits on Jul 16, 2023

• Merge branch 'master' of git+ssh://github.com/QijingZheng/VaspBandUnfolding

  QijingZheng

  committed
  9b9ff2e

• Merge pull request #22 from Ionizing/master

  Show description for 26b6cf7
  QijingZheng

  authored
  26b6cf7

• [coulomb_integral.py] polish PWCoulombIntegral

  

  Ionizing

  committed
  aa4aea0

Commits on Jul 14, 2023

• [paw.py] restore with minimal modification

  Show description for 043df2d
  

  Ionizing

  committed
  043df2d

Commits on Jul 7, 2023

• [paw.py] add get_DeltaC_1234

  

  Ionizing

  committed
  ffd880e

Commits on Jul 6, 2023

• [paw.py] add get_integral_phi12_gl

  

  Ionizing

  committed
  f60c862

• [paw.py] add get_integral_gl

  

  Ionizing

  committed
  6ef2d23

Commits on Jul 5, 2023

• [paw.py] add get_Delta_Li1i2 and get_integral_1234

  Ionizing

  committed
  6c1adbb

• [paw.py] add compensation charge function

  Ionizing

  committed
  3f8ee39

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