[Wien] Strange fluctuation of charge in the iteration.

[liyh]

Dear WIEN users,

       In the calculation we find a strange fluctuation of charge in the iteration.
 I dont know how to treat this problem.
:DIS  :  CHARGE DISTANCE       0.0005138
:PLANE:  INTERSTITAL DISTANCE  0.0000321
:DIRB :  |BROYD|= 0.337D-02 |PRATT|= 0.394D-02 ANGLE=  22.5 DEGREES
       BROYD MIXING SCHEME WITH 0.100
:ENE  : ********** TOTAL ENERGY IN Ry =      -168823.233973
:DIS  :  CHARGE DISTANCE       0.0013379
:PLANE:  INTERSTITAL DISTANCE  0.0000773
:DIRB :  |BROYD|= 0.499D-03 |PRATT|= 0.743D-02 ANGLE=  70.4 DEGREES
       BROYD MIXING SCHEME WITH 0.099
:ENE  : ********** TOTAL ENERGY IN Ry =      -168823.238418
:DIS  :  CHARGE DISTANCE       0.0004413
:PLANE:  INTERSTITAL DISTANCE  0.0000266
:DIRB :  |BROYD|= 0.148D-02 |PRATT|= 0.288D-02 ANGLE=  30.0 DEGREES
       BROYD MIXING SCHEME WITH 0.100
:ENE  : ********** TOTAL ENERGY IN Ry =      -168823.232693
:DIS  :  CHARGE DISTANCE       0.0013680
:PLANE:  INTERSTITAL DISTANCE  0.0000780
:DIRB :  |BROYD|= 0.168D-03 |PRATT|= 0.755D-02 ANGLE= 113.0 DEGREES
       BROYD MIXING SCHEME WITH 0.099
:ENE  : ********** TOTAL ENERGY IN Ry =      -168823.238462 

The mixing parameters are:
BROYD  0.0   YES  (BROYD/PRATT, extra charge (+1 for additional e), norm)
0.10            mixing FACTOR for BROYD/PRATT scheme
0.10  0.30      PW and CLM-scaling factors

Best Wish to You!
Yonghua