Meaning of the tag LongDrXp
Posted: Mon Jul 15, 2019 3:55 am
Dear developers:
I have a technical question related to the tag LongDrXp: In your tutorials, the tag means direction of the electric field for the calculation of the q=0 component of the dielectric constant. However, in terms of your implementation paper:yambo: An ab initio tool for excited state calculations, the formula (6)-(9) (see https://www.sciencedirect.com/science/a ... 5509000472) are devoted to calculating the dielectric constant with PPA approximation. But where is the direction of the electrical field in these formulae? Can I just set (1,1,1) for bulk system and (0,0,1) for two-dimensional systems? But what's the physical meaning of this direction?
I have a technical question related to the tag LongDrXp: In your tutorials, the tag means direction of the electric field for the calculation of the q=0 component of the dielectric constant. However, in terms of your implementation paper:yambo: An ab initio tool for excited state calculations, the formula (6)-(9) (see https://www.sciencedirect.com/science/a ... 5509000472) are devoted to calculating the dielectric constant with PPA approximation. But where is the direction of the electrical field in these formulae? Can I just set (1,1,1) for bulk system and (0,0,1) for two-dimensional systems? But what's the physical meaning of this direction?