mirror of https://github.com/phonopy/phono3py.git
Document update for v1.12.5
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Change Log
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==========
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Nov-22-2017: version 1.12.5
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-----------------------------
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- Bug fix of RTA thermal conductivity. This bug exists from version
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1.10.11.18 (git e40cd059). This bug exhibits when all the following
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conditions are met:
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- RTA thermal conductivity calculation
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- Tetrahedron method for Brillouin zone integration
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- Number of triplets is smaller than number of bands at each grid point
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- Without using ``--full-pp``
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A race condition of OpenMP multithreading is the source of this
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bug. Therefore, the same calculation comes up with the different
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number in every run time, i.e., it behaves like randomly.
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- RTA thermal conductivity with smearing method (``--sigma``)
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is made to run smaller memory consumption as similar as tetrahedron
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method (``--thm``).
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Nov-17-2017: version 1.12.3
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----------------------------
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@ -50,9 +50,9 @@ copyright = u'2015, Atsushi Togo'
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# built documents.
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#
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# The short X.Y version.
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version = '1.12.3'
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version = '1.12.5'
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# The full version, including alpha/beta/rc tags.
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release = '1.12.3'
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release = '1.12.5'
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# The language for content autogenerated by Sphinx. Refer to documentation
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# for a list of supported languages.
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@ -20,7 +20,7 @@ Documentation
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.. toctree::
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:maxdepth: 1
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install
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examples
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Interfaces to calculators (VASP, pwscf, CRYSTAL, Abinit) <interfaces>
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@ -54,4 +54,3 @@ Contact
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=======
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* Author: `Atsushi Togo <http://atztogo.github.io/>`_
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