| 3:35:12 PM PDT - Mon, Apr 18th 2016 |
|
Hi
I am trying to use the LC-wPBE in my calculation. From the documentation, the input is as following:
xc xwpbe 1.00 cpbe96 1.0 hfexch 1.00
cam 0.3 cam_alpha 0.00 cam_beta 1.00
However, it says below that the cam_alpha and cam_beta are parameters that control the amount of short-range DFT and long-range HF. For LC-wPBE it should be 100% short-range DFT and 100% long-range HF which means cam_alpha and cam_beta should both be 1. Did this input use any different code so that cam_alpha is actually 1 minus the coefficient? Thank you.
Best,
Han
|