[WIEN] : FERMI-ENERGY

[Ma Chi Chiu]

Dear All,

I have a big case for 4:4 co-ordinated KI. The RMT for K and I are chosen 
as 2.6078 and 3.5000, respectively. The Rkmax =8 and Gmax=10. But when I 
run scf, I got the negative fermi energy (-0.03) with the following warnings

(1) WARNING: RKmax reduced due to NMAT
How to avoid this warning?

(2) *WARNING** TOTAL ENERGY IN Ry =       -60102.992569
What problem causes this warning?

Is the negative fermi energy reasonable for my case?

I will highly appreciate your help.

Thank you very much

Martin
-- 
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KI
P   LATTICE,NONEQUIV. ATOMS: 2
MODE OF CALC=NREL
 34.015084 34.015084 13.953238 90.000000 90.000000 90.000000
ATOM= -1: X=0.38888889 Y=0.61111111 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -1: X=0.61111111 Y=0.38888889 Z=0.00000000
      -1: X=0.61111111 Y=0.61111111 Z=0.50000000
      -1: X=0.38888889 Y=0.38888889 Z=0.50000000
K          NPT=  781  R0=0.00010000 RMT=    2.6078   Z: 19.0
LOCAL ROT MATRIX:    0.0000000 0.7071068-0.7071068
                     0.0000000 0.7071068 0.7071068
                     1.0000000 0.0000000 0.0000000
ATOM= -2: X=0.61111111 Y=0.61111111 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.38888889 Y=0.38888889 Z=0.00000000
      -2: X=0.38888889 Y=0.61111111 Z=0.50000000
      -2: X=0.61111111 Y=0.38888889 Z=0.50000000
I          NPT=  781  R0=0.00010000 RMT=    3.5000   Z: 53.0
LOCAL ROT MATRIX:    0.0000000-0.7071068 0.7071068
                     0.0000000 0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
  16      NUMBER OF SYMMETRY OPERATIONS
-1 0 0 0.0000000
 0-1 0 0.0000000
 0 0-1 0.0000000
       1
-1 0 0 0.0000000
 0-1 0 0.0000000
 0 0 1 0.0000000
       2
 0-1 0 0.0000000
-1 0 0 0.0000000
 0 0-1 0.0000000
       3
 0-1 0 0.0000000
-1 0 0 0.0000000
 0 0 1 0.0000000
       4
 0 1 0 0.0000000
 1 0 0 0.0000000
 0 0-1 0.0000000
       5
 0 1 0 0.0000000
 1 0 0 0.0000000
 0 0 1 0.0000000
       6
 1 0 0 0.0000000
 0 1 0 0.0000000
 0 0-1 0.0000000
       7
 1 0 0 0.0000000
 0 1 0 0.0000000
 0 0 1 0.0000000
       8
 0 1 0 0.0000000
-1 0 0 0.0000000
 0 0 1 0.5000000
       9
 0-1 0 0.0000000
 1 0 0 0.0000000
 0 0-1 0.5000000
      10
 0-1 0 0.0000000
 1 0 0 0.0000000
 0 0 1 0.5000000
      11
-1 0 0 0.0000000
 0 1 0 0.0000000
 0 0-1 0.5000000
      12
-1 0 0 0.0000000
 0 1 0 0.0000000
 0 0 1 0.5000000
      13
 1 0 0 0.0000000
 0-1 0 0.0000000
 0 0-1 0.5000000
      14
 1 0 0 0.0000000
 0-1 0 0.0000000
 0 0 1 0.5000000
      15
 0 1 0 0.0000000
-1 0 0 0.0000000
 0 0-1 0.5000000
      16