Need Momentum Matrix Element for Charge Transport Calculatio
Posted: Thu Nov 09, 2017 9:12 pm
Hi Admin,
I want to have the momentum matrix elements written in a file from VASP. I think when we are calculating the frequency dependent dielectric matrix calculation with the keyword LOPTICS = .TRUE. we are calculating that matrix. Is there anyway we can save that matrix? Does the WAVEDER file in the formatted form (WAVEDERF) write the momentum matrix?
Best,
Debmalya Ray
I want to have the momentum matrix elements written in a file from VASP. I think when we are calculating the frequency dependent dielectric matrix calculation with the keyword LOPTICS = .TRUE. we are calculating that matrix. Is there anyway we can save that matrix? Does the WAVEDER file in the formatted form (WAVEDERF) write the momentum matrix?
Best,
Debmalya Ray