Skip to content

GPUMD-v2.4

Compare
Choose a tag to compare
@brucefan1983 brucefan1983 released this 19 Apr 19:07
· 3842 commits to master since this release
4bea244

Major changes:

  1. Added a main program for phonon calculations based on harmonic lattice dynamics.
  2. Improved the calculation of the vibrational density of states from the velocity autocorrelation function.