:GMA  : POTENTIAL AND CHARGE CUT-OFF  12.00 Ry**.5
 
 
 
 
:POS001: AT.NR.   1 POSITION = 0.00000 0.00000 0.00000  MULTIPLICITY =  1
 
       LMMAX  5
       LM=   0 0  4 0  4 4  6 0  6 4
 
:CHA001: TOTAL CHARGE INSIDE SPHERE   1 =    20.575986
:PCS001: PARTIAL CHARGES SPHERE =  1 S,P,D,F,      D-EG,D-T2G
:QTL001: 1.8536 4.418410.2974 4.0048 0.0000 0.0000 0.0000 4.1297 6.1678 0.0000 0.0000 0.0000
        Q-s-low E-s-low   Q-p-low E-p-low   Q-d-low E-d-low   Q-f-low E-f-low
:EPL001:  1.8129 -2.2889    4.1651 -0.2848    9.9972 -6.6050    0.0093  0.1458
        Q-s-hi  E-s-hi    Q-p-hi  E-p-hi    Q-d-hi  E-d-hi    Q-f-hi  E-f-hi
:EPH001:  0.0408  0.7896    0.2533  0.9256    0.3004  0.9295    3.9956  1.0659
 
 
 
 
:POS002: AT.NR.   2 POSITION = 0.50000 0.50000 0.50000  MULTIPLICITY =  1
 
       LMMAX  5
       LM=   0 0  4 0  4 4  6 0  6 4
 
:CHA002: TOTAL CHARGE INSIDE SPHERE   2 =     4.484377
:PCS002: PARTIAL CHARGES SPHERE =  2 S,P,D,F,      D-EG,D-T2G
:QTL002: 1.5156 2.9265 0.0357 0.0054 0.0000 0.0000 0.0000 0.0094 0.0263 0.0000 0.0000 0.0000
        Q-s-low E-s-low   Q-p-low E-p-low   Q-d-low E-d-low   Q-f-low E-f-low
:EPL002:  1.4926  0.1047    0.0603 -0.2795    0.0086 -0.3287    0.0019 -0.4102
        Q-s-hi  E-s-hi    Q-p-hi  E-p-hi    Q-d-hi  E-d-hi    Q-f-hi  E-f-hi
:EPH002:  0.0230  0.8958    2.8663  0.8689    0.0272  1.0568    0.0034  1.0436
 
:CHA  : TOTAL CHARGE INSIDE UNIT CELL =      31.000001
 
:SUM  : SUM OF EIGENVALUES =         -61.727112419
 
 
 
    Most likely no ghostbands, but adjust Energy-parameters or use -in1new
 
 
:WARN : QTL-B value eq.   2.36  in Band of energy   1.11524   ATOM=    1   L=  3
:WARN : You should change the E-parameter in case.in1 or use -in1new switch



   QTL-B VALUE .EQ.    2.44437   in Band of energy    1.11940   ATOM=    1   L=  3