quack/examples/molecule.Li2

mirror of https://github.com/pfloos/quack synced 2024-11-07 06:33:55 +01:00
# nAt nEla nElb nCore nRyd
  2   3     3   0     0
# Znuc   x            y           z
  Li     0.           0.          0.000
  Li     0.           0.          5.051
clean up 2020-01-17 13:45:02 +01:00			`# nAt nEla nElb nCore nRyd`
			`2 3 3 0 0`
removing examples 2019-03-19 10:18:03 +01:00			`# Znuc x y z`
clean up 2020-01-17 13:45:02 +01:00			`Li 0. 0. 0.000`
			`Li 0. 0. 5.051`