[Pw_forum] spin polarized lowdin charges

[Cyrille Barreteau]

dear pwscf adepts,

I have two questions concerning magnetism.

1) when setting the initial magnetic moment by
starting_magnetization(i)=1.0
I get an error  WHEN AND ONLY WHEN i>10

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
      from  read_namelists  : error #       406
       reading namelist system
  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
      stopping ...

is there a limitation on the size of i?


2) I want to get the spin dependant integrated lowdin charges but I do not
know how to specify this option. From example 8 (ni.pdos.in->ni.pdos.out)
I can get the total Lowdin charges but nothing about the up and down charges..


Lowdin Charges:

      Atom #   1: total charge =   9.8849, s, p, d, f =   0.9347  0.0000 8.9501
      Spilling Parameter:   0.0115


    thanks

       cyrille


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