QuAcK/examples/molecule.LiF

mirror of https://github.com/pfloos/quack synced 2024-12-23 04:43:42 +01:00
# nAt nEla nElb nCore nRyd
 2   6     6   0     0
# Znuc   x            y           z
  Li    0.           0.         0.
  F     0.           0.         3.5
fix bug in printing qsGW energy after BSE 2019-09-23 13:31:01 +02:00			`# nAt nEla nElb nCore nRyd`
scan diatomics 2019-09-23 18:36:55 +02:00			`2 6 6 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.`
BSE in ppRPA 2020-03-21 21:09:48 +01:00			`F 0. 0. 3.5`