diff --git a/parser/parser-quantum-espresso/QuantumEspressoXC.py b/parser/parser-quantum-espresso/QuantumEspressoXC.py index e1567c3e355bdfcb460c058d2a00f5be0e6d9a2c..555b764a637bacd32ed0bb86f00f60c3d21b02cb 100644 --- a/parser/parser-quantum-espresso/QuantumEspressoXC.py +++ b/parser/parser-quantum-espresso/QuantumEspressoXC.py @@ -795,6 +795,9 @@ CORRELATION_GRADIENT_CORRECTION = [ 'xc_terms': [{ 'XC_functional_name': "GGA_C_P86", }], + 'xc_terms_subtract': [{ + 'XC_functional_name': 'LDA_C_PW', + }], 'xc_section_method': { 'x_qe_xc_igcc_name': "p86", 'x_qe_xc_igcc_comment': "Perdew86", diff --git a/test/xc_functionals/refactor_test/testuite-xc.ref.log b/test/xc_functionals/refactor_test/testuite-xc.ref.log index 55717f5cace2c71e84de182d06b18ba66ff6fe08..3289efccfa80902546b0a78df0aeac1ee0c7a66d 100644 --- a/test/xc_functionals/refactor_test/testuite-xc.ref.log +++ b/test/xc_functionals/refactor_test/testuite-xc.ref.log @@ -131,9 +131,6 @@ qe_xc: 0.00 OPTBK88 ( 1 4 23 1 0 0) }, { "XC_functional_name": "GGA_X_OPTB88_VDW" - }, - { - "XC_functional_name": "LDA_C_PW" } ] qe_xc: 0.00 VDW-DF2 ( 0 413 0 2)