Dear Forum,
Are the forces calculated by VASP when an electric field is applied correct?
I applied EFIELD_PEAD 0.01 0.0 0.0. The units are (eV/Angstrom) which is a rather large field. I am looking at a distorted SrTiO3 where the atom positions have been perturbed from their high symmetry sites.
However, the calculated forces with and without the electric field are essentially the same. Naively I had expected the force on the strontium (2+ ion) to shift due to the strength of the electric field in the x-direction. However, the force with the electric field is (0.02967, 0, 0) and without is (0.02959, 0, 0).
Any help would be appreciated.
Thanks,
David.
Forces and Electric Field EFIELD_PEAD
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dtom0352
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Forces and Electric Field EFIELD_PEAD
Last edited by dtom0352 on Mon Feb 10, 2014 9:04 pm, edited 1 time in total.
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support_vasp
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Re: Forces and Electric Field EFIELD_PEAD
Hi,
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