[QE-users] How to enable M05-2x in QE

? ?? alingjing at outlook.com
Sun Jan 20 07:44:57 CET 2019

Dear all,

I’m trying to use QE to perform M05-2x calculation. I know QE is linked with libxc which contains M05-2X functional. In the QE/modules/funct.f90, M05-2x is not listed. So do I need to manually change the script of funct,f90 to enable M05-2X after QE is linked with M05-2X? Are there any other script that I need to modify?

Thanks A lot for any help

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