Discussions

• 1 You must be logged in to vote

  💬

  Get the Seitz notation of the space group symmetries for a specific crystal structure.

  hongyi-zhao started Jan 23, 2022 in General

  

  

  13
• 1 You must be logged in to vote

  💬

  About the precise definitions of little group and Herring little group.

  disscussion Disscusions

  hongyi-zhao started Feb 4, 2022 in General

  

  

  3
• 1 You must be logged in to vote

  💬

  Understand the group theory explanation of Dirac point in graphene with the help of SpaceGroupIrep.

  disscussion Disscusions

  hongyi-zhao started Feb 6, 2022 in General

  

  

  22
• 1 You must be logged in to vote

  💬

  Some notes on the use of SpaceGroupIrep and vasp2trace for spin orbit coupling and spin polarized calculations.

  disscussion Disscusions

  hongyi-zhao started Feb 10, 2022 in General

  

  

  6
• 1 You must be logged in to vote

  💬

  Interface this package with tight-binding/density-functional theory (TB/DFT) codes to facilitate related research.

  disscussion Disscusions

  hongyi-zhao started Jan 26, 2022 in General

  

  

  

  

  27
• 1 You must be logged in to vote

  💬

  Some related databases, tools/packages and e-books.

  disscussion Disscusions

  hongyi-zhao started Feb 2, 2022 in General

  

  

  1
• 1 You must be logged in to vote

  💬

  Derive the SU(2) from the corresponding O(3) matrices under the appropriate basis, instead of using a list in the source code.

  disscussion Disscusions

  hongyi-zhao started Feb 7, 2022 in General

  

  

  30
• 1 You must be logged in to vote

  📣

  Welcome to SpaceGroupIrep Discussions!

  goodluck1982 announced Feb 14, 2022 in Announcements

  

  

  0
• 1 You must be logged in to vote

  💬

  Let showBZDemo generate BCS style Brillouin zone plot.

  disscussion Disscusions

  hongyi-zhao started Feb 12, 2022 in General

  

  

  3
• 1 You must be logged in to vote

  💬

  Is it really necessary to obtain and analyze the LG IRs of all Bloch states in energy bands?

  disscussion Disscusions

  hongyi-zhao started Feb 11, 2022 in General

  

  

  1
• 1 You must be logged in to vote

  💬

  showBZDemo: This error is because RegionIntersection cannot work well for certain parameters in mathematica v11.2, but this problem does not occur in v12.0.

  hongyi-zhao started Feb 5, 2022 in General

  

  

  3
• 1 You must be logged in to vote

  💬

  Thermo_pw has added the symmetry analysis at zone border point in nonsymmorphic space groups.

  disscussion Disscusions

  hongyi-zhao started Jan 29, 2022 in General

  

  

  13
• 1 You must be logged in to vote

  💬

  Possible tools/utilities to help convert/implement this project into/with other languages.

  disscussion Disscusions

  hongyi-zhao started Jan 26, 2022 in General

  

  

  2
• 1 You must be logged in to vote

  💬

  Some additional questions on the results generated by getBCsymmetry.py tool.

  disscussion Disscusions

  hongyi-zhao started Jan 25, 2022 in General

  

  

  9
• 1 You must be logged in to vote

  💬

  In the long run, the user guide should be re-written in English using LaTeX and titled in pure English.

  disscussion Disscusions

  hongyi-zhao started Jan 25, 2022 in General

  

  

  1