QuAcK/examples/molecule.LiH

mirror of https://github.com/pfloos/quack synced 2024-11-09 07:33:48 +01:00
# nAt nEla nElb nCore nRyd
 2   2     2   0     0
# Znuc   x            y           z
  Li    0.           0.         0.
  H     0.           0.         3.5
qsGW fix bug 2019-09-21 08:53:29 +02:00			`# nAt nEla nElb nCore nRyd`
scan diatomics 2019-09-23 18:36:55 +02:00			`2 2 2 0 0`
removing examples 2019-03-19 10:18:03 +01:00			`# Znuc x y z`
scan diatomics 2019-09-23 18:36:55 +02:00			`Li 0. 0. 0.`
revive eDFT code 2020-03-14 23:00:44 +01:00			`H 0. 0. 3.5`