Document update for v1.12.5

This commit is contained in:
Atsushi Togo 2017-11-22 10:33:26 +09:00
parent 4e35bd4a3b
commit ccab51d6f0
3 changed files with 23 additions and 4 deletions

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@ -3,6 +3,26 @@
Change Log
==========
Nov-22-2017: version 1.12.5
-----------------------------
- Bug fix of RTA thermal conductivity. This bug exists from version
1.10.11.18 (git e40cd059). This bug exhibits when all the following
conditions are met:
- RTA thermal conductivity calculation
- Tetrahedron method for Brillouin zone integration
- Number of triplets is smaller than number of bands at each grid point
- Without using ``--full-pp``
A race condition of OpenMP multithreading is the source of this
bug. Therefore, the same calculation comes up with the different
number in every run time, i.e., it behaves like randomly.
- RTA thermal conductivity with smearing method (``--sigma``)
is made to run smaller memory consumption as similar as tetrahedron
method (``--thm``).
Nov-17-2017: version 1.12.3
----------------------------

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@ -50,9 +50,9 @@ copyright = u'2015, Atsushi Togo'
# built documents.
#
# The short X.Y version.
version = '1.12.3'
version = '1.12.5'
# The full version, including alpha/beta/rc tags.
release = '1.12.3'
release = '1.12.5'
# The language for content autogenerated by Sphinx. Refer to documentation
# for a list of supported languages.

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@ -20,7 +20,7 @@ Documentation
.. toctree::
:maxdepth: 1
install
examples
Interfaces to calculators (VASP, pwscf, CRYSTAL, Abinit) <interfaces>
@ -54,4 +54,3 @@ Contact
=======
* Author: `Atsushi Togo <http://atztogo.github.io/>`_