10
1
mirror of https://github.com/pfloos/quack synced 2024-11-04 21:23:55 +01:00
QuAcK/examples/molecule.LiH

6 lines
159 B
Plaintext

# nAt nEla nElb nCore nRyd
2 2 2 0 0
# Znuc x y z
Li 0. 0. 0.
H 0. 0. 3.099