quack/examples/molecule.HCl

mirror of https://github.com/pfloos/quack synced 2024-06-21 20:52:21 +02:00
# nAt nEla nElb nCore nRyd
 2   9     9    0    0
# Znuc   x            y           z
  H     0.           0.         -0.02489783
  Cl    0.           0.         2.38483140
examples 2020-01-17 17:35:40 +01:00			`# nAt nEla nElb nCore nRyd`
iterative dynamic correction for BSE 2020-05-21 16:13:52 +02:00			`2 9 9 0 0`
examples 2020-01-17 17:35:40 +01:00			`# Znuc x y z`
dynamic screening in BSE 2020-04-23 23:13:15 +02:00			`H 0. 0. -0.02489783`
			`Cl 0. 0. 2.38483140`