TRIQS/dft_tools

Issues

• issue running the Vasp Ce Hubbard-I example

  #259 opened a month ago by LZ5278
  2

• G_latt_iw' is not defined in calc_density_correction

  #250 opened 5 months ago by Soumeniisc
  2

• CSC error in Wannier90Converter

  #251 opened 7 months ago by phibeck
  1

• CMake targets are not correctly configured

  #245 opened a year ago by hmenke
  1

• Python 3.12 f2py compile error

  #244 opened a year ago by the-hampel
  1

• Feature request: allow comments in wannier90 converter input file

  #240 opened a year ago by the-hampel
  3

• when using sumk with MeshReFreq calc_mu does not Fermi function for density calculation

  #216 opened a year ago by the-hampel
  1

• Vasp charge self-consistent scheme needs to be corrected

  #231 opened a year ago by the-hampel
  2

• Vasp-PLO converter does not produce correct projectors with two correlated shells

  #235 opened a year ago by merkelm
  9

• Bug report

  #236 opened 2 years ago by pokornyv
  6

• Bug report: dmftproj cannot start with website example with WIEN2k 19.2

  #153 opened 2 years ago by 70akaline
  5

• Bug: extract_G_loc crashes when Sigma_imp is not set even for with_Sigma=False

  #233 opened 2 years ago by merkelm
  3

• Error in symetries from dmftproj

  #148 opened 4 years ago by johanjoensson
  3

• SumK set_Sigma raises FutureWarning

  #131 opened 2 years ago by aichhorn
  2

• Postprocessing with wannier90 input

  #137 opened 2 years ago by ZhijieFan
  6

• UserWarning: Block up maximum difference

  #175 opened 2 years ago by ZhijieFan
  2

• Incorrect reordering of orbital and spin for SOC in Wannier90Converter

  #215 opened 2 years ago by phibeck
  4

• Different types for Gf and Gf.mesh

  #219 opened 2 years ago by LeoGaspard
  4

• triqs mpi environment

  #223 opened 2 years ago by daisychoco
  0

• SumK assumes beta=40 and n_iw=1025

  #157 opened 3 years ago by the-hampel
  2

• Small bug in `SumkDFTTools.spaghettis(mesh=mesh)`

  #193 opened 3 years ago by jrhui
  2

• problem with triqs version

  #156 opened 3 years ago by Reyhanehe
  2

• add_dc always uses rotloc rotations

  #190 opened 3 years ago by hschnait
  1

• a

  #167 opened 4 years ago
  2

• Small bug in `SumkDFTTools.spaghettis(mesh=mesh)`

  #192 opened 3 years ago by jrhui
  0

• combine case.almblm_*

  #183 opened 3 years ago by jrhui
  1

• issue with the almblm form from Wien2k 19.1

  #127 opened 5 years ago by pokornyv
  9

• Largest imaginary element of delta(infty) e.g. of the local part of G0: 1e-10, is larger than the set parameter imag_threshold 1e-13

  #178 opened 3 years ago by quantumable
  11

• ISMEAR=0 work?

  #174 opened 3 years ago by quantumable
  17

• ERROR: eigenvalue mismatch between equivalent shells

  #150 opened 3 years ago by ZhijieFan
  2

• VASP 6 and ISYM > 0

  #172 opened 3 years ago by thenoursehorse
  8

• Remove mpi dependence from converters/*.py

  #162 opened 3 years ago by shinaoka
  18

• qsub running

  #165 opened 4 years ago by viridibang
  4

• Trace of the density matrix is 1.00018 instead of 1

  #168 opened 4 years ago by karlabaumann
  3

• locproj.F

  #164 opened 4 years ago by viridibang
  7

• [doc] Outdated hubbardI tutorial Ce-gamma.py

  #160 opened 4 years ago by Reyhanehe
  2

• SP calculation

  #155 opened 4 years ago by Reyhanehe
  6

• Wien2k converter crashes

  #149 opened 4 years ago by johanjoensson
  0

• Feature request

  #142 opened 4 years ago by chuffa
  2

• G0_iw is not invertible in first iteration

  #136 opened 4 years ago by cmtcl18
  19

• DFT tools in ubuntu 20.04 LTS

  #139 opened 4 years ago by fellipebc
  3

• ATTRIBUTE ERROR IN CALULATING DOS AND BAND STRUCTURE

  #140 opened 4 years ago by cmtcl18
  8

• CALCULATION IS NOT RUNNING BEYOND 1ST ITERATION.

  #132 opened 5 years ago by cmtcl18
  33

• DMFTproj cannot be used with more than 1 LO orbital

  #128 opened 5 years ago by cmtcl18
  5

• put_Sigma: give exactly one Sigma for each inequivalent corr. shell

  #130 opened 5 years ago by cmtcl18
  9

• dmftproj -band error

  #125 opened 5 years ago by cmtcl18
  10

• ERROR IN DFT + DMFT SELF-CONSISTENCY CYCLE FOR SrMnO3

  #126 opened 5 years ago by cmtcl18
  16

• dft_parpoj_input, dft_symmpar_input, dft_transp_input files are abscent in SrVO3.h5 file

  #124 opened 5 years ago by cmtcl18
  0

• dmftproj error

  #122 opened 5 years ago by cmtcl18
  8

• error in SrVO3.h5

  #123 opened 5 years ago by cmtcl18
  2