QuAcK/examples/molecule.H2

mirror of https://github.com/pfloos/quack synced 2024-11-05 21:53:56 +01:00
# nAt nEla nElb nCore nRyd
 2   1     1   0     0
# Znuc   x            y           z
  H     0.           0.         0.
  H     0.           0.         2.5
basis correction 2019-07-09 16:17:10 +02:00			`# nAt nEla nElb nCore nRyd`
correct bug in evGW 2020-04-15 09:34:41 +02:00			`2 1 1 0 0`
removing examples 2019-03-19 10:18:03 +01:00			`# Znuc x y z`
correct bug in evGW 2020-04-15 09:34:41 +02:00			`H 0. 0. 0.`
RS in GW 2020-04-16 17:02:01 +02:00			`H 0. 0. 2.5`