4
1
mirror of https://github.com/pfloos/quack synced 2024-11-19 20:42:44 +01:00
quack/examples/molecule.Sp_50

5 lines
124 B
Plaintext

# nAt nEla nElb nCore nRyd
1 5 5 0 0
# Znuc x y z
X 0.0 0.0 0.0