[QE-users] use of range-separated CAM-QTP-01 functional

[Zack Windom]

Hi all,

I have recently compiled quantum espresso (6.4) and linked it with Libxc
(4.3.4). I am trying to use the range separated CAM-QTP-01 functional
(which is essentially a reparameterized version of CAM-B3LYP --- a
functional that works when I run test calculations) for band structure and
density of states calculation. However, I get an error message
"unrecognized dft" when I try to use apply this functional. Can someone
lend me advice regarding the use of this functional, which is defined in
Libxc 4.3.4 under "xc_funcs.h" header file?

thanks,
Zack
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