QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: hadi9827 on February 23, 2021, 10:17

Title: ±isovalue option meaning in visualizing molecular orbitals
Post by: hadi9827 on February 23, 2021, 10:17

Dear all,

When I visualize molecular orbitals (for example HOMO or LUMO), when I tick the ±isovalue option, the orbitals will be shown with two colors red and blue. What do these colors mean? what is the difference between blue and red regions?

Thanks

Title: Re: ±isovalue option meaning in visualizing molecular orbitals
Post by: Anders Blom on February 23, 2021, 19:08

For isosurfaces, the Red/Blue indicate the sign, whereas the surface itself show the same absolute isovalue.

Title: Re: ±isovalue option meaning in visualizing molecular orbitals
Post by: hadi9827 on February 25, 2021, 14:28

Thanks :)