input_cards.bash

##### ATOMIC_SPECIES #####
read -r -d '' atomic_species << EOM
C    12.0110   C.pbe-n-kjpaw_psl.1.0.0.UPF
Cl   35.4527  Cl.pbe-n-kjpaw_psl.1.0.0.UPF
H    1.0079    H.pbe-kjpaw_psl.1.0.0.UPF
EOM
##### CELL_PARAMETERS (alat) #####
cell_parameters_opt="(alat)"
read -r -d '' cell_parameters << EOM
  14.7620000000    0.0000000000    0.0000000000
   0.0000000000    5.8320000000    0.0000000000
  -1.5638756447    0.0000000000    3.7239513917
EOM
##### ATOMIC_POSITIONS (crystal) #####
atomic_positions_opt="(crystal)"
read -r -d '' atomic_positions << EOM
Cl       1.165849197   0.174064714   0.481438830
C        1.073317173   0.355958225   0.491887686
C        1.098682759   0.560500378   0.684394547
H        1.175449892   0.606670489   0.828549575
C        1.024673423   0.705951945   0.692646288
H        1.043819093   0.865574631   0.843597763
H        0.456180907   0.365574631   0.156402237
C        0.475326577   0.205951945   0.307353712
H        0.324550108   0.106670489   0.171450425
C        0.401317241   0.060500378   0.315605453
C        0.426682827  -0.144041775   0.508112314
Cl       0.334150803  -0.325935286   0.518561170
H        0.956180907   0.134425369   0.156402237
C        0.975326577   0.294048055   0.307353712
H        0.824550108   0.393329511   0.171450425
C        0.901317241   0.439499622   0.315605453
C        0.926682827   0.644041775   0.508112314
Cl       0.834150803   0.825935286   0.518561170
H        0.543819093  -0.365574631   0.843597763
C        0.524673423  -0.205951945   0.692646288
H        0.675449892  -0.106670489   0.828549575
C        0.598682759  -0.060500378   0.684394547
C        0.573317173   0.144041775   0.491887686
Cl       0.665849197   0.325935286   0.481438830
EOM

##### K_POINTS automatic #####
k_points_opt="automatic"
k_points='2 4 4 1 1 1'