QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: beauyy on May 2, 2023, 06:26

Title: localized charge setting in complex vdW stacking supercells
Post by: beauyy on May 2, 2023, 06:26

Dear all, I need to applied nonzero charge on the sublayer in a vdW stacking supercell. Is it possible to do this operation in QuantumATK 2018.06? Or is there any script to achieve this?