QuAcK/input/weight

1   3
S   3
  1     38.3600000              0.0238090        
  2      5.7700000              0.1548910        
  3      1.2400000              0.4699870        
S   1
  1      0.2976000              1.0000000        
P   1
  1      1.2750000              1.0000000
scaling of N-centered 2020-09-29 09:43:01 +02:00			`1 3`
			`S 3`
major modification for makefiles 2020-09-30 00:10:57 +02:00			`1 38.3600000 0.0238090`
			`2 5.7700000 0.1548910`
			`3 1.2400000 0.4699870`
non dTDA 2020-06-01 11:35:17 +02:00			`S 1`
major modification for makefiles 2020-09-30 00:10:57 +02:00			`1 0.2976000 1.0000000`
correction of EA sign and added Fundamental Gap in the print 2020-07-09 10:44:19 +02:00			`P 1`
major modification for makefiles 2020-09-30 00:10:57 +02:00			`1 1.2750000 1.0000000`