Nota bene: an vacuum induction field of approximately 0.23 T will give about 
10^-6 Ry/mu_B (1 microRydberg per Bohr magneton)

My guess is, at 0.1 T nothing in the calculation will change at all and from 
experience I can tell that this is true.
 I am not even sure whether this is enough to force a -- say metastable --  
"spin polarized" solution when starting from  non-polarized densities.


DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy:
"I think the problem, to be quite honest with you,
is that you have never actually known what the question is."

Dr. Gerhard H. Fecher
Institut of Inorganic and Analytical Chemistry
Johannes Gutenberg - University
55099 Mainz
Max Planck Institute for Chemical Physics of Solids
01187 Dresden
[] im Auftrag von Peter Blaha 
Gesendet: Freitag, 6. November 2015 08:41
An: A Mailing list for WIEN2k users
Betreff: Re: [Wien] Heusler alloy in presence of external magnetic field

>                      We were trying to simulate the properties of a
> Heusler alloy in presence of external magnetic field. Consequently, we
> have edited the input file case.inorb as shown below:
>   3  2  0                     nmod, natorb, ipr
> PRATT  1.0                    BROYD/PRATT, mixing
>    1 1 2                          iatom nlorb, lorb
>    2 1 2                          iatom nlorb, lorb
>    0.1.                             Bext in T

"0.1."    is not a valid number (the program does not know what to do
with the 2 dots.)

PS: I'd recommend a much larger field. And be aware that the action
acting on the orbital moment is only a crude onsite-approximation.

>    0. 0. 1.                         direction of Bext in terms of

> lattice vectors
> However, after first cycle an error appeared as fllows;
> forrtl: severe (59): list-directed I/O syntax error, unit 5, file
> /home/akdas/Srimanta/CFG_mag/CFG_mag.inorb
> Image              PC                Routine            Line        Source
> orb                00000000004403FA  Unknown               Unknown  Unknown
> orb                000000000043DFF7  Unknown               Unknown  Unknown
> orb                000000000040D590  init_                     188  init.f
> orb                0000000000403A81  MAIN__                    103  main.f
> orb                00000000004031F6  Unknown               Unknown  Unknown
>          0000003E0FC1ED1D  Unknown               Unknown  Unknown
> orb                00000000004030E9  Unknown               Unknown  Unknown
>  >   stop error
> We guess there is some problem in our provided format of the input file!


Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300             FAX: +43-1-58801-165982
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