: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 =    11.802435
:PCS001: PARTIAL CHARGES SPHERE =  1 S,P,D,F,      D-EG,D-T2G
:QTL001: 1.8735 4.5348 0.2404 5.1502 0.0000 0.0000 0.0000 0.0473 0.1929 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:  1.8358 -2.6942    4.2577 -0.5963    0.0154 -0.4959    0.0080 -0.4740
        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:  0.0377  0.4448    0.2770  0.5253    0.2249  0.4874    5.1422  0.7696
 
 
 
 
:POS002: AT.NR.   2 POSITION = 0.25000 0.25000 0.25000  MULTIPLICITY =  2
 
       LMMAX  6
       LM=   0 0  4 0  4 4  6 0  6 4 -3 2
 
:CHA002: TOTAL CHARGE INSIDE SPHERE   2 =     5.703545
:PCS002: PARTIAL CHARGES SPHERE =  2 S,P,D,F,      D-EG,D-T2G
:QTL002: 1.7312 3.9362 0.0290 0.0053 0.0000 0.0000 0.0000 0.0102 0.0189 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:  1.7171 -0.5297    0.0683 -0.6177    0.0093 -0.6904    0.0024 -0.7388
        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:  0.0143  0.4900    3.8679  0.5200    0.0197  0.6717    0.0028  0.6505
 
:CHA  : TOTAL CHARGE INSIDE UNIT CELL =      28.999999
 
:SUM  : SUM OF EIGENVALUES =          -0.970851169
 
 
 
    Most likely no ghostbands, but adjust Energy-parameters or use -in1new
 
 
:WARN : QTL-B value eq.   2.79  in Band of energy   0.81636   ATOM=    1   L=  3
:WARN : You should change the E-parameter in case.in1 or use -in1new switch



   QTL-B VALUE .EQ.    2.92965   in Band of energy    0.82161   ATOM=    1   L=  3