Commits · develop · fleur / fleur

06 Nov, 2020 1 commit
- Partial commit for more avoidance of tetraeder storage in the Fleur input · 4be4abd2
  Gregor Michalicek authored Nov 06, 2020
  
  4be4abd2
27 Aug, 2020 1 commit
- These routines were missed when the iounit was changed · 42a8629e
  Henning Janssen authored Aug 27, 2020
  
  42a8629e
27 Jan, 2020 2 commits

Revert "Add judft error related to MT overlap during relax" · 7d28632a
Vasily Tseplyaev authored Jan 27, 2020
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This reverts commit f5fe58e8.
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7d28632a

Add judft error related to MT overlap during relax · f5fe58e8

Vasily Tseplyaev authored Jan 27, 2020

The error message also prints out labels of overlapped
atoms (one of the labels) and the overlapping value.
The error message makes AiiDA-FLEUR to conviniently
parse this info and automatically adjust MT radii
for another try of relaxation.

f5fe58e8

15 Jul, 2019 2 commits
- redo it in 1e · e4c171d9
  Matthias Redies authored Jul 15, 2019
  
  e4c171d9
- remove d-notation · 0ba38f36
  Matthias Redies authored Jul 15, 2019
  
  0ba38f36
14 Sep, 2018 1 commit
- Modified help system, moved routines dealingwith kpint generation into own directory · 67e53cd1
  Daniel Wortmann authored Sep 14, 2018
  
  67e53cd1
26 Apr, 2016 1 commit
- Initial release of FLEUR v0.27 · e15587dc
  Markus Betzinger authored Apr 26, 2016
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Based on v0.26 hybrid branch
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  e15587dc