ALAMODE Files

Ab initio simulator for thermal transport and lattice anharmonicity

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Name	Modified	Size	InfoDownloads / Week
Parent folder
ALAMODE version 1.3.0 (2021-10-01) source code.tar.gz	2021-10-01	5.7 MB	0
ALAMODE version 1.3.0 (2021-10-01) source code.zip	2021-10-01	5.7 MB	0
ALAMODE version 1.3.0 (2021-10-01).tar.gz	2021-10-01	5.7 MB	0
ALAMODE version 1.3.0 (2021-10-01).zip	2021-10-01	5.7 MB	0
README.md	2021-10-01	438 Bytes	0
Totals: 5 Items		22.8 MB	0

Changes

For OpenMX, displace.py now generates atomic positions in Cartesian coordinate instead of the fractional coordinate.
Refactor the codes for future major release (This release does not change the user interface.)

Fixes

Fix a few bugs in the SCP class. The stability of the phonon frequency interpolation has been improved.
Fix other minor bugs and typos in documentation and header parts of output files.

Source: README.md, updated 2021-10-01

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ALAMODE Files

Ab initio simulator for thermal transport and lattice anharmonicity

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Changes

Fixes