Skip to content

OCEAN v1.2.0
Compare
Choose a tag to compare
@jtv3 jtv3 released this 19 Apr 15:45
· 1356 commits to master since this release
v1.2.0
dc73951

v. 1.2.0

Major Feature: LDA+U

Fixed up LDA+U support (QuantumEspresso only). Thanks to Yufeng Liang for
spearheading this effort.

Minor Features:

  1. Improvements to the parsing of QE wavefunctions
  2. More consistent determination of the Fermi level for metallic systems.

Bug fixes

  1. Some bugs that surfaced with MPICH
  2. Cleaned up the OCEAN2/Makefile
Assets 2
Loading