Siesta 4.0.1
Bug fixes for the 4.0 release series.
Milestone information
- Active:
- No. Drivers cannot target bugs and blueprints to this milestone.
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- Assigned to you:
- No blueprints or bugs assigned to you.
- Assignees:
- 3 Alberto Garcia, 23 Nick Papior
- Blueprints:
- No blueprints are targeted to this milestone.
- Bugs:
- 27 Fix Released
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Release notes
Release Notes for Siesta-4.0.1 (July 2017)
This version corrects some issues found in the 4.0 release:
* Better standard compliance in code structure
* Fix bug related to SlabDipoleCorre
* Fix non-collinear bandstructure calculations (lp:1636100)
* Fix for 'nodes' basis generation option (lp:1625725)
* Fixes VCA mixing of pseudos (lp:1633039)
* Fixes integer energy specifications in ProjectedDensit
* Added print-outs when GridCellSampling is used
* TBtrans_rep changed the written DOS units to 1/eV (they were in 1/Ry)
* Fix for Bader charge analysis (lp:1656273)
* Fix memory problem when memory usage close to limit (lp:1665294)
* Forced Diag.ParallelOverK to false if non-collinear spin configuration (lp:1666428)
* Updated Eig2DOS to be more like gnubands (options are the same)
* Added Geometry.
* Enabled internal walltime check to forcefully stop SIESTA after a
certain limit.
* Updates and fixes for Util/STM/ol-STM
- Fix wrong fftw call
- Enabled direct reading of WFSX files
* Added new interpolation option to Util/Macroave
To see the other changes introduces to the 4.0 release series
please see this page:
