quack/examples/molecule.LiH

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# nAt nEla nElb nCore nRyd
 2   2     2   0     0
# Znuc   x            y           z
  Li    0.           0.         0.
  H     0.           0.         3.099
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.`
spinorbital G0T0 OK 2020-03-24 14:55:22 +01:00			`H 0. 0. 3.099`