[Pw_forum] hi everyone

[Gabriele Sclauzero]

Dear George,

      negative rho (up, down):  0.123E-03 0.775E-04
           total   stress  (Ry/bohr**3)                   (kbar)     P= -278.63
   -0.00189412   0.00000000   0.00000000       -278.63      0.00      0.00
    0.00000000  -0.00189412   0.00000000          0.00   -278.63      0.00
    0.00000000   0.00000000  -0.00189412          0.00      0.00   -278.63


      Writing output data file nickel.save


this means that you have chosen a lattice parameter which is not very close to the 
theoretical equilibrium value, to be more precise larger.
These values do not tell you anything about magnetic properties directly, but the bulk 
magnetization will depend on the lattice parameter of course.


Regards,


GS

george manyali wrote:
> am doing scf calculation to investigate magnetic properties of nickel 
> .Can someone explain to me the significance of these values with respect 
> to magnetic properties of nickel.
> George
> student
> 
> 
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