diff --git a/parser/parser-quantum-espresso/QuantumEspressoXC.py b/parser/parser-quantum-espresso/QuantumEspressoXC.py index 869fc6b2f3ca2b77e6b15ecd74677f896b8c54c4..bdb76f9685ac8fd38de9b4becd39896c8274b338 100644 --- a/parser/parser-quantum-espresso/QuantumEspressoXC.py +++ b/parser/parser-quantum-espresso/QuantumEspressoXC.py @@ -916,6 +916,9 @@ CORRELATION_GRADIENT_CORRECTION = [ 'xc_terms': [{ 'XC_functional_name': "MGGA_C_TPSS", }], + 'xc_terms_subtract': [{ + 'XC_functional_name': 'LDA_C_PW', + }], 'xc_section_method': { 'x_qe_xc_igcc_name': "tb09", 'x_qe_xc_igcc_comment': "TB09 Meta-GGA (Espresso-version < 5.1)",