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inmaterialscloud-org/seekpath (press backspace or delete to remove)giovannipizzi
- Opened on Feb 5, 2020
- #73
giovannipizzi
- 1
- Opened on Feb 5, 2020
- #72
I m adding a link for the various output formats (VASP, QE, CP2K, CRYSTAL) to appropriate pages in the respective
websites.
This fixes #70
giovannipizzi
- Opened on Feb 5, 2020
- #71
- The k-mesh inputs needed for band structure calculations with CRYSTAL (d3 file) and VASP (KPOINTS file) are
separated from their structure inputs. This PR updates tools to generate d3 and KPOINTS ...
hungpham2017
- 1
- Opened on Jan 12, 2020
- #68
giovannipizzi
- Opened on Sep 3, 2019
- #65
This also addressed (but does not solve) #54
Indeed, SPGlib alone now is more stable and avoid cycles, but when going through the primitive cell, the cyclicity is
still there
giovannipizzi
- Opened on Jul 30, 2019
- #64