Electrostatic potential

[djelenfi]

Hello,

What are the units of electrostatic potential in turbomole? I thing the unit is H/e, but I see high values. I think there is some shift in the values, but nowhere can I find out how much.

Thank you for the help.

[uwe]

Hi,

did you check if the high values stem from points near to a nucleus?

Regards,
Uwe

[djelenfi]

I did two calculation, one is a APBS calculation, and one turbomole electrostatic potential calculation. I plot turbomole potential in the near the APBS potential, far the nucleus. The APBS electrostatic potential is drawing in kT/e unit. I see 3 magnitude difference beetwen two potential. I think the two potential is same, but the turbomole potential unit has a prefixum, not simple H/e. I would like to know what is this prefixum or what kind of the unit of the potential.

Regards,
David