quack/examples/molecule.BF

mirror of https://github.com/pfloos/quack synced 2024-11-19 20:42:44 +01:00
# nAt nEla nElb nCore nRyd
 2   7     7   0     0
# Znuc   x            y           z
  B     0.           0.         0.
  F     0.           0.         2.39
examples 2020-01-17 17:35:40 +01:00			`# nAt nEla nElb nCore nRyd`
			`2 7 7 0 0`
			`# Znuc x y z`
			`B 0. 0. 0.`
QP solutions 2020-02-12 12:25:24 +01:00			`F 0. 0. 2.39`