My Community

hi everyone!
i m a beginner in vasp.i am trying to optimize clusters.here is my INCAR.actually i want to calculate magnetic moment of clustersafter optimization.this is specific incar for Mn3(manganese trimer).
PREC = MED
SYSTEM = Mn3
ISTART = 0
ICHARGE = 2
ISPIN = 1
NELM = 70
NSW = 50
IBRION = 1
ISYM = 0
POTIM = 0.6
AMIX = 0.02
BMIX = 0.00001
ENCUT = 337.3
NBANDS = 19
LDIAG = .TRUE.
IALGO = 48
ADDGRID = .TRUE.
ISMEAR = -1
SIGMA = 0.02
EDIFF = 0.00001
EDIFFG = -0.005

I have tried with ibrion =2 alsoi have changed the values of potim,ismear and sigma.With the help of earlier seen forum reports ,i have modified my incar but no result reaching to convergence.
i am using gamma points and PAW_GGA potential.
my POSCAR is given below
Mn3
1
10 0 0
0 10 0
0 0 10
cart
3.0 3.0 3.0
5.8 3.0 3.0
4.5 5.4 3.0


please help me if anyone can, as i am having the same problem with Germanium clusters.nobody is here to help me.please help me,what is wrong here.

thank you so much in advance
regards

you will certainly not obtain any magnetic properties (and the run will probably not converge) if you set ISPIN=1.
please either use ISPIN=2 (collinear magnetism) or LNONCOLLINEAR=.true. (non-colllinear)
also, it may improve convergence if you give some reasonable magnetic moment
(MAGMOM) for the Mn atoms in INCAR