QuAcK/examples/molecule.LiF

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# nAt nEla nElb nCore nRyd
 2   6     6   0     0
# Znuc   x            y           z
  Li    0.           0.         0.
  F     0.           0.         3.9
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.`
stupid big in qsGW BSE 2019-09-26 21:36:46 +02:00			`F 0. 0. 3.9`