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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.
