Non-collinear magnetic calculations in the presence of an Electric Field

[saurabh_2802]

Hi All,

I am trying to calculate the non-collinear magnetic moment of a bulk system in the presence of an Electric Field. My system has a spontaneous polarization as well as magnetization.

I first converged the 'non-collinear magnetic' calculation without any electric field and using that WAVECAR, then again trying to converge 'non-collinear magnetic moments' under the presents of an Electric Field where field has been applied along z-direction ( and I want to see the change the in the non-collinear magnetic moment along x,y and z with and without the presence of the field )

I am using 2x3x3 K-mesh. Calculations are running having no warning or error but the convergence is very slow and hard to achieve.
Do anyone have experience such with calculations ? How to speed up the convergence?. Need suggestions.

Here is my INCAR.
Do I need to take account any additional corrections or any additional tags ?

iNCAR:
SYSTEM = xxx
ENCUT = 500.0
GGA = PS
PREC = Accurate
ISPIN = 2
MAGMOM = 12*0 0 5 0 0 5 0 0 -5 0 0 -5 0 36*0
ISTART =1 (I am trying to converge form the previous no field run )
#ICHARG = 2
NELM = 400
NELMIN = 4
#NELMDL = -5
EDIFF = 0.0000001
#EDIFFG = -0.0005
##############################
ISYM = 0
#NSW = 1
#NBLOCK = 1
#KBLOCK = 0
#IBRION = 2
#NFREE= 2
#LEPSILON= .TRUE.
#POTIM = 0.2
#ISIF = 2
#IALGO = 38
#LDIAG = .TRUE.
#NSIM = 4
#LPLANE= .TRUE.
#=TIME = 0.1
###################################
LDAU = .TRUE.
LDAUTYPE = 1
LDAUL = -1 -1 2 -1
LDAUU = 0.0 0.0 6.0 0.0
LDAUJ = 0.0 0.0 1.0 0.0
#LDAUPRINT= 1
LMAXMIX = 4
#######################################
LSORBIT = .TRUE.
SAXIS = 0 0 1
LORBMOM = .TRUE.
NBANDS = 208
GGA_COMPAT = .FALSE.
###################################
LCALCPOL = .TRUE.
DIPOL = 0.25 0.25 0.25
EFIELD_PEAD = 0 0 0.01
SKIP_EDOTP=.TRUE.
################################
#RWIGS =
LORBIT = 11
#EMIN =
#EMAX =
ISMEAR = 0
SIGMA = 0.01
LREAL= .FALSE.
#ROPT =
#NEDOS =
#ADDGRID = .TRUE.
################################
#LWAVE = .FALSE.
LCHARG = .FALSE.
#LVTOT = .FALSE.
#LELF = .FALSE.
#NGX=18
#NGY=18
#NGZ=30
#NPAR= 8
################################

Thank you all,

Regards,

Saurabh Ghosh

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