10
1
mirror of https://github.com/pfloos/quack synced 2024-12-23 04:43:42 +01:00
QuAcK/examples/molecule.BH

6 lines
164 B
Plaintext

# nAt nEla nElb nCore nRyd
2 3 3 0 0
# Znuc x y z
B 0. 0. 0.
H 0. 0. 2.3281426