[Pw_forum] Asterisks in the output of the EXX scf calculation

[shuai]

Dear QE users,

I found some asterisks in the output of the EXX scf calculation. Is this 
a problem?

      End of self-consistent calculation

           k = 0.1250 0.1250 0.1250 (   835 PWs)   bands (ev):

***************************************************************-997.9124
   -997.9064 -56.1824 -54.8866 -30.7739 -30.7739 -30.6988 -6.6122  -4.5868
     -4.5868  -4.3601  -3.3399  -3.3399  -2.9208   9.4223 9.4224   9.8135
     10.4095

           k = 0.1250 0.1250 0.3750 (   846 PWs)   bands (ev):

******************-977.3748-975.0306-930.5885-918.4427-886.8817-865.9690
   -799.5980 -56.1816 -54.0570 -30.9205 -30.8097 -30.7602 -6.8481  -5.4203
     -4.3657  -4.2079  -3.7042  -3.4980  -2.3643   1.3967 7.9681   8.0919
      9.4935

           k = 0.1250 0.3750 0.3750 (   846 PWs)   bands (ev):

******************-992.8277-976.2631-944.1689-931.0699-916.4460-841.0418
   -822.0322 -56.1817 -54.0565 -30.9378 -30.8939 -30.7903 -16.6606  -5.8379
     -5.0508  -4.8356  -4.4762  -3.8834  -1.9840  -1.5341 5.4616   7.0318
      7.7129

           k = 0.3750 0.3750 0.3750 (   850 PWs)   bands (ev):

*********-994.8860-994.8799-972.5245-961.6722-957.9788-957.9671-919.9192
   -919.9135 -56.1807 -53.7768 -30.9508 -30.9508 -30.8499 -16.5073 -16.5061
     -5.1084  -4.5639  -4.5061  -4.5060  -2.4662  -2.3105 -2.3104   6.8985
      7.3988

      highest occupied, lowest unoccupied level (ev): -3.3399   -2.9208

      convergence has been achieved in   9 iterations

the input is;
  &control
       calculation = 'scf'
        prefix = 'STO'
      restart_mode = 'from_scratch'
        pseudo_dir = '/'
            outdir = '/'
  /
  &system
             ibrav = 1
         celldm(1) = 7.379
           nat = 5
          ntyp = 3
          nbnd = 25
           ecutwfc = 25
       occupations = 'fixed'
         input_dft = 'gaupbe'
          nqx1 = 1
          nqx2 = 1
          nqx3 = 1
x_gamma_extrapolation = .false.
      exxdiv_treatment = 'none'
  /
  &electrons
          conv_thr = 1e-6
       mixing_beta = 0.5
  /
ATOMIC_SPECIES
Sr    87.62    Sr.pbe-spn-kjpaw_psl.1.0.0.UPF
Ti    47.867    Ti.pbe-spn-kjpaw_psl.1.0.0.UPF
O    15.999    O.pbe-n-kjpaw_psl.1.0.0.UPF
ATOMIC_POSITIONS (alat)
Sr    0    0    0
Ti    0.5    0.5    0.5
O    0.5    0.5    0
O    0.5    0    0.5
O    0    0.5    0.5
K_POINTS (automatic)
  4 4 4 1 1 1

Thanks in advance.

Best regards

S. Zhao

-- 
PhD student
Graduate School of Life Science and Systems Engineering
Kyushu Institute of Technology, Japan
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