DTCAM Functionals - Open-Quantum-Platform/openqp GitHub Wiki

[input]
functional=dtcam-tune

[dftgrid]
cam_flag=True
cam_alpha=0.50
cam_beta=-0.20
cam_mu=0.33
hfscale=0.50 can be used as well when cam_flag=False

[tddft]
cam_alpha=0.44
cam_beta=0.22
cam_mu=0.33
hfscale=0.55 can be used as well when cam_flag=False
spc_coco=0.2 ! Spin-pair coupling CO-CO
spc_ovov=0.3 ! Spin-pair coupling OV-OV
spc_coov=0.4 ! Spin-pair coupling CO-OV