Download Latest Version v.1.5.0 source code.zip (34.4 MB)
Email in envelope

Get an email when there's a new version of ALAMODE

Home / v.1.1.0
Name Modified Size InfoDownloads / Week
Parent folder
ALAMODE version 1.1.0 (2019-05-01) source code.tar.gz 2019-05-01 5.6 MB
0
ALAMODE version 1.1.0 (2019-05-01) source code.zip 2019-05-01 5.7 MB
0
ALAMODE version 1.1.0 (2019-05-01).tar.gz 2019-05-01 5.6 MB
0
ALAMODE version 1.1.0 (2019-05-01).zip 2019-05-01 5.7 MB
0
README.md 2019-05-01 1.3 kB
0
Totals: 5 Items   22.6 MB 0

New

  • An interface to OpenMX code (contributed by Yuto Tanaka)
  • Compressive sensing approach (LMODEL = enet) in alm code. Many new variables related to compressive sensing are also added. See the documentation page for details.
  • SPARSE and SPARSESOLVER tags in alm code
  • DOS-tag in anphon code
  • A python script scph_to_qe.py that converts the result of an SCPH calculation to Quantum ESPRESSO force-constant format.

Changes

  • Default value of ICONST is changed to ICONST = 11
  • Python scripts now work with python3 as well as python2
  • Python interface scripts are moved to tools/interface
  • Default values for MASS- and ISOFACT-tags are implemented
  • Implement a sparse version of rref, which improves the performance of alm significantly.
  • Performance improvements of anphon code.
  • DFILE and FFILE in alm code are now deprecated. Use DFSET instead.
  • &fitting field in alm is replaced with &optimize field.

Fix

  • Fix a minor bug in calc_damping_tetrahedron. The phonon linewidths at high temperatures and the thermal conductivities were not affected by this minor error. In a very low-temperature region (< 10 K), the thermal conductivity may have been underestimated.
  • Fix other minor bugs
Source: README.md, updated 2019-05-01