non collinear calculations
Posted: Thu Feb 06, 2014 3:56 pm
I would like to run non collinear calculations on a nanoparticle with 200 atoms.
For a non-collinear setup, three values must be supplied for each ion in the MAGMOM line.
However, in the MAGMOM line, only the values for the first 41 atoms are taken into account.
Thus, is there a limit for the size of the calculated system via the non collinear calculations?
If there is no limit, how the three values must be supplied?
The MAGMOM line will be very long.
Thank you in advance
Demeter
For a non-collinear setup, three values must be supplied for each ion in the MAGMOM line.
However, in the MAGMOM line, only the values for the first 41 atoms are taken into account.
Thus, is there a limit for the size of the calculated system via the non collinear calculations?
If there is no limit, how the three values must be supplied?
The MAGMOM line will be very long.
Thank you in advance
Demeter