Phonon dispersion with VASP
Posted: Tue May 04, 2021 6:00 am
Hi
Can we calculate and draw Phonon spectrum/dispersion of a 2D material with VASP alone, without using Phonopy? Because i am always getting negative frequency for a material, but for the same material the correct (or no negative frequency) phonon spectrum is obtained using Quantum Espresso.
Regards
Can we calculate and draw Phonon spectrum/dispersion of a 2D material with VASP alone, without using Phonopy? Because i am always getting negative frequency for a material, but for the same material the correct (or no negative frequency) phonon spectrum is obtained using Quantum Espresso.
Regards