ALAMODE version 1.0.0 (2017-11-21)

New

• Self-consistent phonon calculation (MODE = SCPH)
• Ewald summation for the non-analytic term of the dynamical matrix (NONANALYTIC = 3).
• Support of the CLASSICAL option.
• Python auxiliary script for LAMMPS

Changes

• P+ and P- are printed seperately in PREFIX.sps when SPS = 1
• Use C++11 standard. From this version, the C++ compiler must support the C++11 standard.
• The anphon code symmetrize the Born effective charges

Fix

• Loosen the tolerance to detect the multiplicity of force constants. This is an important fix for low symmetry structures.
• Fixed a problem of the restart mode of MODE = RTA