[Pw_forum] SCF output information when testing espresso4.0cvs3

[Zheng Bing]

Hi, good morning,
I tested "espresso4.0cvs3" with a simple scf calculation.
I think the information for atomic magnetization in the output aren't 
reliable.
I tried to find where the problem is from but failed. 
Could you give me some opinions about it?
Thanks.

The input is as following:
----------------------------------------
  &control
     calculation='scf', pseudo_dir = '$pseudi', outdir='$workdir',
     prefix='bmo_4.2', disk_io='high', verbosity='high',/
  &system
     ibrav=0,celldm(1)=7.3894,nat=5,ntyp=3,nbnd=30,ecutwfc=35.0,
     ecutrho=350.0,occupations='smearing',smearing='gaussian',
     degauss=0.01, starting_magnetization(2)=1.0,
     constrained_magnetization='atomic',
     lambda=1.0, nspin=2,
  &electrons
     conv_thr =  1.0d-2
  /
ATOMIC_SPECIES
  Bi  70.00 Bi.pbe-d-mt.UPF
  Mn  70.00 Mn.pbe-sp-van.UPF
  O   70.00 O.pbe-rrkjus.UPF
ATOMIC_POSITIONS
  Bi      .000000000    .000000000    .000000000
  Mn     .500000000    .500000000    .500000000
  O      .000000000    .500000000    .500000000
  O      .500000000    .000000000    .500000000
  O      .500000000    .500000000    .000000000
K_POINTS (automatic)
  2  2  2  0  0  0
CELL_PARAMETERS {cubic}
1.0000      0.0000      0.0000
0.0000      1.0000      0.0000
0.0000      0.0000      1.0000

---------------------------------------------------
----------------------------------------------------
The output which only the atomic magnetization from the last 
scf step are shown. Notice the No.4 is zero.

==============================================================================
      atom number    1 relative position :    0.0000   0.0000   0.0000
      charge :     9.095727
      magnetization :          0.016660
      magnetization/charge:    0.001832
      constrained moment :     0.000000
==============================================================================
      atom number    2 relative position :    0.5000   0.5000   0.5000
      charge :    11.952491
      magnetization :          0.055621
      magnetization/charge:    0.004654
      constrained moment :     1.000000
==============================================================================
      atom number    3 relative position :    0.0000   0.5000   0.5000
      charge :     5.364920
      magnetization :         -0.784068
      magnetization/charge:   -0.146147
      constrained moment :     0.000000
==============================================================================
      atom number    4 relative position :    0.5000   0.0000   0.5000
      charge :     5.364920
      magnetization :          0.000000
      magnetization/charge:    0.000000
      constrained moment :     0.000000
==============================================================================
      atom number    5 relative position :    0.5000   0.5000   0.0000
      charge :     5.364920
      magnetization :         -0.784027
      magnetization/charge:   -0.146140
      constrained moment :     0.000000
=======================================================

ZHENG Bing -
International Center for Theoretical
Physics(ICTP) -
Strada Costiera 11 -
34014 Trieste, ITALY

E-mail: zhengb at ictp.it -
Tel : +39 040 224 0459 -
Fax : +39 040 224 163 -