:POS001: ATOM   -1 X,Y,Z = 0.00000 0.00000 0.00000  MULT= 1  ZZ= 26.000  Fe1
 
       LMMAX  6
       LM=   0 0  2 0  4 0  4 4  6 0  6 4
 
:CHA001: TOTAL VALENCE CHARGE INSIDE SPHERE   1 =   5.3690    (RMT=  2.3300 )
:PCS001: PARTIAL CHARGES SPHERE =  1 S,P,D,F,PZ,PXY,,D-Z2,D-XY,D-X2Y2,D-XZ,YZ
:QTL001: 0.2113 3.2175 1.9253 0.0115 1.0725 2.1451 0.0000 0.2781 0.4565 0.2782 0.9126 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:  0.0000 10.0000    2.9913 -3.2203    0.0005 -3.2173    0.0000 10.0000
        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:  0.2109  0.2213    0.2263  0.3855    1.9246  0.4303    0.0113  0.4490
:VZZ001: EFG INSIDE SPHERE   1 =     0.008024      UP TO R =   2.33000
 
:CHA  : TOTAL VALENCE CHARGE INSIDE UNIT CELL =       5.892530
 
:SUM  : SUM OF EIGENVALUES =          -8.511058130
 
 
 
    Most likely no ghostbands, but adjust Energy-parameters for this ATOM and L
 
 
:WARN : QTL-B value eq.   2.40 in Band of energy   0.32400  ATOM=    1  L=  2
:WARN : You should change the E-parameter for this atom and L-value in case.in1 (or try the -in1new



   QTL-B VALUE .EQ.    2.39586   in Band of energy    0.32400   ATOM=    1   L=  2

:WARN : QTL-B value eq.   2.40 in Band of energy   0.32400  ATOM=    1  L=  2