Download Latest Version
v.1.5.0 source code.zip (34.4 MB)
Get an email when there's a new version of ALAMODE
| Name | Modified | Size | Downloads / Week |
|---|---|---|---|
| Parent folder | |||
| ALAMODE version 0.9.7 (2016-3-10) source code.tar.gz | 2016-03-10 | 893.8 kB | |
| ALAMODE version 0.9.7 (2016-3-10) source code.zip | 2016-03-10 | 947.4 kB | |
| ALAMODE version 0.9.7 (2016-3-10).tar.gz | 2016-03-10 | 893.8 kB | |
| ALAMODE version 0.9.7 (2016-3-10).zip | 2016-03-10 | 947.4 kB | |
| README.md | 2016-03-10 | 1.1 kB | |
| Totals: 5 Items | 3.7 MB | 0 | |
New
- New option SPS = 2 for anphon
- New tag MAGMOM for considering collinear spin (alm). The format is same as VASP.
- ALAMODE logo
Changes
- From this version, the variable 'NNP' for the translational part of space group operations will no longer be used. Because of this, file formats of SYMM_INFO and SYMM_INFO_PRIM also changed.
- Comment lines in the &cell, &position, and &kpoints fields are supported.
- Any words starting from 'N' or 'n' can be used instead of 'None' for the &cutoff field.
Fix
- Fixed a bug in fitting.cpp (alm) regarding out-of-range of an array.
- Fixed a bug in the calculation of the maximum distance for multi-body interaction clusters.
- Fixed a bug in the calculation of constraints for translational invariance. This bug appeared in previous versions with some specific structures/cutoff radii.
- anphon code incorrectly printed RMSD instead of MSD in previous versions. Fixed.
- qe2alm.cpp now works with ibrav=0.
- Fixed several issues in displace.py and extract.py for processing QE files.
- PRINTPR now works properly when KPMODE = 0.