Dear Sir/Madam
I am a Quantum espresso user and trying to get the variation of dipole
moment with respect to external electric field for bilayer system.
For this I have set in the input
lelfield = .true.,
nberrycyc= 1,
efield_cart(1) = 0.000,
efield_cart(2) = 0.000,
efield_cart(3) = 0.10,
*In the output file, it has provided Electronic Dipole per cell (Ry
a.u.) 6.28189139063565 Ionic Dipole per cell (Ry a.u.)
1197.26939418139 Electronic Dipole on Cartesian axes 1
0.626129513138514 2 -0.542787347959932 3
6.28189139063565 Ionic Dipole on Cartesian axes 1
631.165105699794 2 364.667080337645 3
1197.26939418139 *
>From this information how can I get *elecric dipole moment*.
Could you please guide me to get the dipole moment? Any help will be
thankfully acknowledged.
I am waiting for any suggestion.
Thanking you.
Sincerely
Barnali Bhattacharya
Ph.D student, Department of Physics
Assam Universit
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