[QE-users] Using SCAN functionals with QE 7.2

[Monteiro Campos de Melo, P.M. (Pedro)]

Hello,

I am trying to use the SCAN functional with QE 7.2 and libxc 5.2.3. I have found some older threads about what value to assign to input_dft, but all the following have failed so far:

“scan”
“r2scan”
“rvv10-scan”
“XC-000i-000i-000i-000i-263L-292L“
“XC-001i-004i-013i-vdw2”

The code stops and prints the error message:
“””
program stopped due to: functional name unknown
STOP must stop!
“””

Could you provide me any guidance on how to overcome this? Is this an issue with the libxc version?

Kind regards,
Pedro Melo
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