msg-byu/autoGR

Issues

• Failed to compile `autoGR` on Ubuntu 20.04.3 LTS.

  #38 opened 2 years ago by hongyi-zhao
  11

• Niggli cell vs primitive cell kpoints in tetragonal body-centered lattice

  #37 opened 2 years ago by bmondal94
  7

• autoGR apparently finds a lower symmetry than VASP (VASP's bug?)

  #24 opened 5 years ago by glwhart
  0

• a problem in the file driver.f90

  #35 opened 2 years ago by ferroteam
  4

• runtime error for some settings of "USE_SYMMMETRY"

  #39 opened 2 years ago by glwhart
  1

• option to output the mapping between full grid and irr grid

  #26 opened 5 years ago by yaoyi92
  0

• Erroneous comma in src/driver.f90, line 33

  #30 opened 4 years ago by haydensoliver
  2

• Provide a way for the user to give access to the grid and shift, instead of just the k-point list

  #31 opened 4 years ago by glwhart
  0

• conflict with ISMEAR=−5

  #27 opened 5 years ago by lingtikong
  1

• More output from autoGR would be nice...

  #23 opened 5 years ago by glwhart
  0

• Folding ratio is too high. Problem with POSCAR?

  #22 opened 5 years ago by glwhart
  1

• Rounding error in POSCAR

  #10 opened 6 years ago by wsmorgan
  1

• Re-name to `GR_auto`, `GR_grid_gen`, `GRGG` or `automatic_kgrid`

  #12 opened 6 years ago by wsmorgan
  0

• Error in kpoints.x for lattice with negative determinate

  #8 opened 6 years ago by hamiltonparker
  1

• Question about symmetry breaking systems

  #7 opened 7 years ago by wsmorgan
  1

• Bug in lat_type.py

  #4 opened 7 years ago by wsmorgan
  1