[Wien] Gd structure

[Chemam faïçal]

Dear Users
i'm new user to wien2k

 I try to calculate the electronic properties of Gd,
after a starting a SCF calculation i'm blocked in
*Error in LAPW1*
* 'SELECT' - no energy limits found for L= 0
     *
* 'SELECT' - E-bottom    4.25500   E-top -200.00000 *

when i changed the the Gd.in1  (line in red )from to

*WFFIL  EF= 0.50000       (WFFIL, WFPRI, ENFIL, SUPWF)*
*  7.00       10    4 (R-MT*K-MAX; MAX L IN WF, V-NMT*
*  0.30    6  0      (GLOBAL E-PARAMETER WITH n OTHER CHOICES, global
APW/LAPW)*
* 0    0.30      0.000 CONT 1*
* 0   -3.43      0.001 STOP 1    CONT1*
* 1   -1.67      0.002 CONT 1*
* 1    0.30      0.000 CONT 1*
* 3    0.30      0.005 CONT 1*
* 2    0.30      0.005 CONT 1*
*K-VECTORS FROM UNIT:4  -13.0       2.5   221   emin/emax/nband*
i found this error
*Error in LAPW1*
* 'LOPW' - Plane waves exhausted*

the Gd.struct is
Gd
H   LATTICE,NONEQUIV.ATOMS:  1194_P63/mmc
MODE OF CALC=RELA unit=ang
  6.871047  6.871047 10.927535 90.000000 90.000000120.000000
ATOM  -1: X=0.33330000 Y=0.66670000 Z=0.25000000
          MULT= 6          ISPLIT= 4
ATOM  -1:X= 0.66670000 Y=0.33330000 Z=0.75000000
ATOM  -1:X= 0.66660000 Y=0.33330000 Z=0.75000000
ATOM  -1:X= 0.33340000 Y=0.66670000 Z=0.25000000
ATOM  -1:X= 0.33330000 Y=0.66660000 Z=0.25000000
ATOM  -1:X= 0.66670000 Y=0.33340000 Z=0.75000000
Gd         NPT=  781  R0=0.00000010 RMT=    2.0000   Z: 64.0
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
  24      NUMBER OF SYMMETRY OPERATIONS
-1 0 0 0.00000000
 0-1 0 0.00000000
 0 0-1 0.00000000
       1
 0-1 0 0.00000000
-1 0 0 0.00000000
 0 0 1 0.00000000
       2
 0-1 0 0.00000000
 1-1 0 0.00000000
 0 0 1 0.00000000
       3
 0 1 0 0.00000000
 1 0 0 0.00000000
 0 0-1 0.00000000
       4
 1-1 0 0.00010000
 0-1 0 0.00000000
 0 0-1 0.00000000
       5
 1 0 0 0.00000000
 0 1 0 0.00000000
 0 0 1 0.00000000
       6
 1 0 0 0.00000000
 1-1 0 0.00010000
 0 0 1 0.00000000
       7
-1 1 0 0.99990000
 0 1 0 0.00000000
 0 0-1 0.50000000
       8
-1 1 0 0.99990000
 0 1 0 0.00000000
 0 0 1 0.00000000
       9
 0-1 0 0.00000000
-1 0 0 0.00000000
 0 0-1 0.50000000
      10
-1 0 0 0.00000000
-1 1 0 0.99990000
 0 0 1 0.50000000
      11
 0 1 0 0.00000000
-1 1 0 0.99990000
 0 0-1 0.00000000
      12
 0 1 0 0.00000000
-1 1 0 0.99990000
 0 0 1 0.50000000
      13
 0-1 0 0.00000000
 1-1 0 0.00000000
 0 0-1 0.50000000
      14
-1 1 0 0.99990000
-1 0 0 0.00000000
 0 0-1 0.50000000
      15
-1 1 0 0.99990000
-1 0 0 0.00000000
 0 0 1 0.00000000
      16
 0 1 0 0.00000000
 1 0 0 0.00000000
 0 0 1 0.50000000
      17
-1 0 0 0.00000000
-1 1 0 0.99990000
 0 0-1 0.00000000
      18
 1-1 0 0.00010000
 0-1 0 0.00000000
 0 0 1 0.50000000
      19
 1 0 0 0.00000000
 0 1 0 0.00000000
 0 0-1 0.50000000
      20
-1 0 0 0.00000000
 0-1 0 0.00000000
 0 0 1 0.50000000
      21
 1-1 0 0.00010000
 1 0 0 0.00000000
 0 0-1 0.00000000
      22
 1-1 0 0.00010000
 1 0 0 0.00000000
 0 0 1 0.50000000
      23
 1 0 0 0.00000000
 1-1 0 0.00010000
 0 0-1 0.50000000
      24


Regards
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