4
1
mirror of https://github.com/pfloos/quack synced 2024-11-15 02:23:59 +01:00
quack/examples/molecule.SiH4

9 lines
245 B
Plaintext
Raw Normal View History

2020-04-23 23:14:14 +02:00
# nAt nEla nElb nCore nRyd
5 9 9 0 0
# Znuc x y z
Si 0.0 0.0 0.0
H 1.614582 1.614582 1.614582
H -1.614582 -1.614582 1.614582
H -1.614582 1.614582 -1.614582
H 1.614582 -1.614582 -1.614582