[Wien] Convergence of magnetic moment

[Rui Costa]

Dear wien2k users,

Can I converge simulations to the last decimal place in the magnetic
moments? Or do the numerical errors stop me from achieving such accuracy?

For example, I have made a calculation with -cc 0.000 001 but i get:

:MMTOT:  SPIN MAGNETIC MOMENT IN CELL     =   -0.00013
:MMTOT:  SPIN MAGNETIC MOMENT IN CELL     =   -0.00014
:MMTOT:  SPIN MAGNETIC MOMENT IN CELL     =   -0.00015
:MMTOT:  SPIN MAGNETIC MOMENT IN CELL     =   -0.00017
:MMTOT:  SPIN MAGNETIC MOMENT IN CELL     =   -0.00018
:MMTOT:  SPIN MAGNETIC MOMENT IN CELL     =   -0.00019
:MMTOT:  SPIN MAGNETIC MOMENT IN CELL     =   -0.00021
:MMTOT:  SPIN MAGNETIC MOMENT IN CELL     =   -0.00024
:MMTOT:  SPIN MAGNETIC MOMENT IN CELL     =   -0.00026
:MMTOT:  SPIN MAGNETIC MOMENT IN CELL     =   -0.00028
:MMTOT:  SPIN MAGNETIC MOMENT IN CELL     =   -0.00030
:MMTOT:  SPIN MAGNETIC MOMENT IN CELL     =   -0.00032
:MMTOT:  SPIN MAGNETIC MOMENT IN CELL     =   -0.00034
:MMTOT:  SPIN MAGNETIC MOMENT IN CELL     =   -0.00035
:MMTOT:  SPIN MAGNETIC MOMENT IN CELL     =   -0.00039
:MMTOT:  SPIN MAGNETIC MOMENT IN CELL     =   -0.00059
:MMTOT:  SPIN MAGNETIC MOMENT IN CELL     =   -0.00094
:MMTOT:  SPIN MAGNETIC MOMENT IN CELL     =   -0.00108
:MMTOT:  SPIN MAGNETIC MOMENT IN CELL     =   -0.00106
:MMTOT:  SPIN MAGNETIC MOMENT IN CELL     =   -0.00040
:MMTOT:  SPIN MAGNETIC MOMENT IN CELL     =   -0.00010
:MMTOT:  SPIN MAGNETIC MOMENT IN CELL     =   -0.00014

>From the evolution I would say that it is converged to the second last but
I really be sure that the magnetization is converged to the last decimal
place. So my next step would be to run the simulation with -cc 0.000 000 1
until I achieve a smooth convergence.

Additionally, is it possible to display more decimal places in the .scf
file?

Best regards,
Rui Costa.
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