I am calculating the second harmonic generation with vasp and have trouble converting the unit.
How to connect the a.u. unit used in VASP to the SI unit?
For example, I noticed in constant.inc, it says:
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! FELECT = (the electronic charge)/(4*pi*the permittivity of free space)
! in atomic units this is just e^2
FELECT = 2*AUTOA*RYTOEV
-------------------------------------------------------------------
Why is this the case?
What if I want to calculate the atomic unit of e^3?
How to convert unit used in vasp to SI unit?
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KurtG
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Re: How to convert unit used in vasp to SI unit?
Hi,
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