My Community

Hi members,

Recently I calculated electronic structure of molecule under the external electric field.

I used below input options
LDIPOL=T
IDIPOL = 3
EFIELD = magnitude of external E field

Results of eigenvalues, total energy, density of states, and total charge of each ions are consistent with my expectation.

But charge density(CHGCAR) of system under the external E field is exactly same as that of system without external E field!
Also, local potential(LOCPOT) of system under the external E field is just sum of local potential of system w/o E field and external field(sawtooth shape).

Can anybody help me???

Thanks

Hello

I also get exact same band structure and charge density from with electric field and without electric field. Do you solve the issue?

zhu