Ghost atom

[jerry]

Dear,

When calculating the band structure of boron nitride nanoribbons, is it necessary to use ghost atoms if the double-zeta-polarized basis set is chosen?

Thank you very much!

[zh]

As fas as I understand, the use of ghost atom may be useful when the BSSE  should be taken into account.  Just for the band structure of BN nanoribbons, it is unnecessary to use the ghost atom.

[jerry]

Thank you very much. If I want to calculate the electronic structure variation of BN nanoribbons under transverse electric field, it is still not necessary to use the ghost atom. Is this so?

[zh]

Thank you very much. If I want to calculate the electronic structure variation of BN nanoribbons under transverse electric field, it is still not necessary to use the ghost atom. Is this so?

Yes.

[jerry]

Thanks a lot!