diff --git a/parser/parser-quantum-espresso/QuantumEspressoXC.py b/parser/parser-quantum-espresso/QuantumEspressoXC.py index be1bee0be330dad3d6f44710ed907c2b56ecfe31..9d34dc8523ff4b223f0673b45eb3c57e88855509 100644 --- a/parser/parser-quantum-espresso/QuantumEspressoXC.py +++ b/parser/parser-quantum-espresso/QuantumEspressoXC.py @@ -887,6 +887,9 @@ CORRELATION_GRADIENT_CORRECTION = [ 'xc_terms': [{ 'XC_functional_name': "GGA_C_PBE_SOL", }], + 'xc_terms_subtract': [{ + 'XC_functional_name': 'LDA_C_PW', + }], 'xc_section_method': { 'x_qe_xc_igcc_name': "psc", 'x_qe_xc_igcc_comment': "PBEsol corr", diff --git a/test/xc_functionals/refactor_test/testuite-xc.ref.log b/test/xc_functionals/refactor_test/testuite-xc.ref.log index 2da8dbca6a91b5be073ae290e5fa2a8c679f8a10..9d74a950127dda7aa9c3036f2f03c7075e73cd49 100644 --- a/test/xc_functionals/refactor_test/testuite-xc.ref.log +++ b/test/xc_functionals/refactor_test/testuite-xc.ref.log @@ -373,9 +373,6 @@ qe_xc: 0.00 PBESOL ( 1 4 10 8 0 0) }, { "XC_functional_name": "GGA_X_PBE_SOL" - }, - { - "XC_functional_name": "LDA_C_PW" } ] qe_xc: 0.00 EV93 ( 1 4 25 0 0 0)