Supported version of LibXC library

Total energy, geometry optimization, DFT+U, spin....

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mcwang
Posts: 3
Joined: Sun Sep 27, 2015 3:02 pm

Supported version of LibXC library

Post by mcwang » Mon Oct 26, 2015 5:09 am

Dear all,

I plan to use the Grimme functional with C6 vdW term supported by LibXC. If I set ixc=-170 and run it in the latest version of ABINIT with v.2.0.3 of LibXC (the latest version supported by ABINIT), it was terminated with the error that KXC was not availabel for GGA XC in LibXC. I am wondering what may cause such error?

Regards,

MC

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