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Published 20 hours ago • verified publisher icon semodi

INPUT_DFT in QuantumEspresso

Open PabloPiaggi opened this issue 2 years ago • 0 comments

Hello, we have successfully compiled and linked libnxc with libxc and QuantumEspresso. What string should we pass to QuantumEspresso's "INPUT_DFT" in order to use the xcdiff functional? Perhaps this information can be stated more clearly in the manual? Thank you, Pablo and @Yi-FanLi. .

PabloPiaggi avatar Feb 15 '23 16:02 PabloPiaggi