[Wien] efermi out of energy range

[Sergey Yablonovskiy]

Hi, all.
 I am using  runfsm_lawp for fixed-spin-moment calculation. In the
 issue, get error lapw2 :
  'FERMI' - EFERMI OUT OF ENERGY RANGE
 'FERMI' - STOP IN EFI
 'FERMI' - ENERGY OF LOWER BOUND                 :   0.62380
 'FERMI' - NUMBER OF STATES AT THE LOWER BOUND   : 136.12300
 'FERMI' - ENERGY OF UPPER BOUND                 :   0.62380
 'FERMI' - NUMBER OF STATES AT THE UPPER BOUND   : 136.12918
 'FERMI' - ADD  134.51646
 'FERMI' - SOS 0.0000.0000.0000.0000.0000.0000.0000.0000.0000.000
 'FERMI' - NOS **************************************************
 ----------------------------------------------------------------
  my .in1c:
  WFFIL        (WFPRI, SUPWF)
  9.000000       12    6 (R-MT*K-MAX; MAX L IN WF, V-NMT
 .42389   5   0      global e-param with N other choices, napw
 0    0.258     0.000 CONT 1
 0   -6.952     0.001 STOP 1
 1    0.421     0.000 CONT 1
 1   -4.041     0.001 STOP 1
 2    0.483     0.000 CONT 1
 .42389   5   0      global e-param with N other choices, napw
 0    0.257     0.000 CONT 1
 0   -6.952     0.001 STOP 1
 1    0.421     0.000 CONT 1
 1   -4.041     0.001 STOP 1
 2    0.483     0.000 CONT 1
 .42389   5   0      global e-param with N other choices, napw
 0    0.263     0.000 CONT 1
 0   -6.928     0.001 STOP 1
 1    0.417     0.000 CONT 1
 1   -4.018     0.001 STOP 1
 2    0.502     0.000 CONT 1
 .42389   5   0      global e-param with N other choices, napw
 0    0.263     0.000 CONT 1
 0   -6.928     0.001 STOP 1
 1    0.417     0.000 CONT 1
 1   -4.018     0.001 STOP 1
 2    0.502     0.000 CONT 1
 .42389   5   0      global e-param with N other choices, napw
 0    0.272     0.000 CONT 1
 0   -5.775     0.001 STOP 1
 1    0.413     0.000 CONT 1
 1   -3.281     0.001 STOP 1
 2    0.498     0.000 CONT 1
 .42389   5   0      global e-param with N other choices, napw
 0    0.272     0.000 CONT 1
 0   -5.775     0.001 STOP 1
 1    0.412     0.000 CONT 1
 1   -3.281     0.001 STOP 1
 2    0.498     0.000 CONT 1
 .42389   5   0      global e-param with N other choices, napw
 0    0.270     0.000 CONT 1
 0   -5.786     0.001 STOP 1
 1    0.412     0.000 CONT 1
 1   -3.281     0.001 STOP 1
 2    0.498     0.000 CONT 1
 .42389   5   0      global e-param with N other choices, napw
 0    0.270     0.000 CONT 1
 0   -5.786     0.001 STOP 1
 1    0.418     0.000 CONT 1
 1   -3.291     0.001 STOP 1
 2    0.488     0.000 CONT 1
 .42389   5   0      global e-param with N other choices, napw
 0    0.270     0.000 CONT 1
 0   -5.786     0.001 STOP 1
 1    0.418     0.000 CONT 1
 1   -3.291     0.001 STOP 1
 2    0.488     0.000 CONT 1
K-VECTORS FROM UNIT:4  -11.5       2.0   188   emin/emax/nband
----------------------------------------------------------------
my .in2c:
FOR             (TOT,FOR,QTL,EFG,FERMI)
      -11.5      136.1     0.50 0.05      EMIN, NE, ESEPERMIN, ESEPER0
TETRA    0.000          (GAUSS,ROOT,TEMP,TETRA,ALL      eval)
  0 0  1 0  2 0  2 2  3 0  3 2  4 0  4 2  4 4  5 0  5 2  5 4  6 0  6 2  6 4  6 6
  0 0  1 0  2 0  2 2  3 0  3 2  4 0  4 2  4 4  5 0  5 2  5 4  6 0  6 2  6 4  6 6
  0 0  1 0  2 0  2 2  3 0  3 2  4 0  4 2  4 4  5 0  5 2  5 4  6 0  6 2  6 4  6 6
  0 0  1 0  2 0  2 2  3 0  3 2  4 0  4 2  4 4  5 0  5 2  5 4  6 0  6 2  6 4  6 6
  0 0  1 0  2 0  2 2  3 0  3 2  4 0  4 2  4 4  5 0  5 2  5 4  6 0  6 2  6 4  6 6
  0 0  1 0  2 0  2 2  3 0  3 2  4 0  4 2  4 4  5 0  5 2  5 4  6 0  6 2  6 4  6 6
  0 0  1 0  2 0  2 2  3 0  3 2  4 0  4 2  4 4  5 0  5 2  5 4  6 0  6 2  6 4  6 6
  0 0  1 0  2 0  2 2  3 0  3 2  4 0  4 2  4 4  5 0  5 2  5 4  6 0  6 2  6 4  6 6
 12.00          GMAX
NOFILE        FILE/NOFILE  write recprlist
Probably not have enough eigenvalues to fill in all electrons?
Thank.



-- 
  Sergey Yablonovsky                          mailto:sy at imag.kiev.ua