diff --git a/parser/parser-quantum-espresso/QuantumEspressoXC.py b/parser/parser-quantum-espresso/QuantumEspressoXC.py index 72b49507bfaf87eabf124830dd5739187f600817..7cd24d74bfb9ae0b88c22c6e09828ef525d7356b 100644 --- a/parser/parser-quantum-espresso/QuantumEspressoXC.py +++ b/parser/parser-quantum-espresso/QuantumEspressoXC.py @@ -541,6 +541,9 @@ EXCHANGE_GRADIENT_CORRECTION = [ 'xc_terms': [{ 'XC_functional_name': "GGA_X_WC", }], + 'xc_terms_subtract': [{ + 'XC_functional_name': 'LDA_X', + }], 'xc_section_method': { 'x_qe_xc_igcx_name': "wcx", 'x_qe_xc_igcx_comment': "Wu-Cohen", diff --git a/test/xc_functionals/refactor_test/testuite-xc.ref.log b/test/xc_functionals/refactor_test/testuite-xc.ref.log index c3dd88a156277b0e4b887f4c35725567624a49f0..249ef740c2d636ac13ecb03bfde32a5bafc9d93b 100644 --- a/test/xc_functionals/refactor_test/testuite-xc.ref.log +++ b/test/xc_functionals/refactor_test/testuite-xc.ref.log @@ -212,9 +212,6 @@ qe_xc: 0.00 WC ( 1 4 11 4 0 0) }, { "XC_functional_name": "LDA_C_PW" - }, - { - "XC_functional_name": "LDA_X" } ] qe_xc: 0.00 REVPBE ( 1 4 4 4 0 0)