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Respected users,
Can any one please tell me the answer if you know for the below query....
I have been calculating polarization after relaxation using berry phase method. I have done the calculation as per the manual guidelines.....
My INCAR is as follows
SYSTEM = TEST
ISTART = 2
PREC = Accurate
ENCUT = 550.00
EDIFF = 1E-6
NSW = 0
ISMEAR = 0 ; SIGMA = 0.1
IBRION = -1 ; POTIM = 0.5
ISPIN = 2
MAGMOM = 11*0 1*10 12*4 36*0
LDAU = .TRUE.
LDAUTYPE = 2
LDAUL = -1 3 2 -1
LDAUU = 0.0 6.0 4.0 0.0
LDAUJ = 0.0 0.0 0.0 0.0
LDAUPRINT = 0
LORBIT = 11
LMAXMIX = 6
NEDOS = 1000
LCALCPOL = .TRUE.
DIPOL = 0 0 0

After the calculation, I have noticed following lines in the OUTCAR........

CALCP: cpu time 1840.63: real time 1236.30

Ionic dipole moment: p[ion]=( -5.58304 -6.34216 -144.54421 ) electrons Angst

Spin resolved dipole moment: p[sp1]=( -2.50842 -4.62308 -5.25532 ) electrons Angst
p[sp2]=( -2.55599 1.65233 6.77168 ) electrons Angst

Total electronic dipole moment: p[elc]=( -5.06441 -2.97075 1.51636 ) electrons Angst

My query is as follows....

what is the formula to calculate the polarization in µC/cm2 from the above output after the polarization calculation ?

Please help if any one knows......

Thank you,

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