[gpaw-users] optB86b-vdW

Chang Liu chliu at kth.se
Tue Jun 16 13:02:05 CEST 2020


Hi,


Is there a way of using the functional optB86b-vdW with GPAW, and which versions have it? I did not find the keyword in gpaw/xc/libxc.py or gpaw/xc/libvdwxc.py , and using GPAW(xc = 'optB86b-vdW') gave me an error


NameError: Unknown functional: "optB86b-vdW".


Thanks!


Best wishes,
Chang Liu
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