Skip to content

DFTTK examples

Compare
Choose a tag to compare
@yiwang62 yiwang62 released this 23 Jun 20:54
· 6 commits to main since this release

The examples are designed for users to test the DFTTK package, currently including i) the stoichiometric phases of Al, Ni, Al3Ni, AlNi, AlNi3, Al3Ni4, and Al3Ni5, and ii) the fcc solution phases of Al3Ni, AlNi, AlNi3 treated using SQS.