Phonon calculation
Posted: Mon Mar 28, 2011 4:30 am
Dear vasp users,
I want to do a phonon calculation using GGA approximation. For accurate calculation should I do the calculation from the scratch or first I calculate the GGA sel consistent eun and then from that WAVECAR and CHARGCAR phonon is to be calculated. Can u please help in this case. Thanks.
I want to do a phonon calculation using GGA approximation. For accurate calculation should I do the calculation from the scratch or first I calculate the GGA sel consistent eun and then from that WAVECAR and CHARGCAR phonon is to be calculated. Can u please help in this case. Thanks.