QuAcK/examples/molecule.N2

mirror of https://github.com/pfloos/quack synced 2024-11-05 13:43:51 +01:00
# nAt nEla nElb nCore nRyd
 2   7     7   0     0
# Znuc   x            y           z
  N     0.           0.         -1.04008632
  N     0.           0.         +1.04008632
huckel guess 2019-09-20 22:28:01 +02:00			`# nAt nEla nElb nCore nRyd`
eta in linear response 2020-01-23 21:22:41 +01:00			`2 7 7 0 0`
removing examples 2019-03-19 10:18:03 +01:00			`# Znuc x y z`
dynamic screening in BSE 2020-04-23 23:13:15 +02:00			`N 0. 0. -1.04008632`
			`N 0. 0. +1.04008632`