quack/examples/molecule.LiH

mirror of https://github.com/pfloos/quack synced 2024-06-26 23:22:20 +02:00
# nAt nEla nElb nCore nRyd
  2   2   2     0      0
# Znuc   x            y           z
  Li     0.           0.          0.000
  H     0.           0.          3.015
qsGW fix bug 2019-09-21 08:53:29 +02:00			`# nAt nEla nElb nCore nRyd`
			`2 2 2 0 0`
removing examples 2019-03-19 10:18:03 +01:00			`# Znuc x y z`
qsGW fix bug 2019-09-21 08:53:29 +02:00			`Li 0. 0. 0.000`
			`H 0. 0. 3.015`