[Suggestion] Sign convention using LCALCPOL
Posted: Sun Jan 05, 2020 11:53 pm
When using the tag LCALCPOL(LBERRY as well) to calculate the macroscopic polarisations, VASP output dipole moments in electrons * Angst.
And it is tempting to convert this value to C*m by just dotting the unit of electric charge without changing its sign.
I think it would be better if the manual have a clear documentation of this sign convention (1 electron = - 1.602E-19 C}).
And it is tempting to convert this value to C*m by just dotting the unit of electric charge without changing its sign.
I think it would be better if the manual have a clear documentation of this sign convention (1 electron = - 1.602E-19 C}).