diff --git a/parser/parser-quantum-espresso/QuantumEspressoXC.py b/parser/parser-quantum-espresso/QuantumEspressoXC.py index 7cd24d74bfb9ae0b88c22c6e09828ef525d7356b..fa678d33544e40499c636032a63e11057ecafbbc 100644 --- a/parser/parser-quantum-espresso/QuantumEspressoXC.py +++ b/parser/parser-quantum-espresso/QuantumEspressoXC.py @@ -554,6 +554,9 @@ EXCHANGE_GRADIENT_CORRECTION = [ 'xc_terms': [{ 'XC_functional_name': "HYB_GGA_XC_HSE06", }], + 'xc_terms_subtract': [{ + 'XC_functional_name': 'LDA_X', + }], 'xc_section_method': { 'x_qe_xc_igcx_name': "hse", 'x_qe_xc_igcx_comment': "HSE screened exchange", diff --git a/test/xc_functionals/refactor_test/testuite-xc.ref.log b/test/xc_functionals/refactor_test/testuite-xc.ref.log index 249ef740c2d636ac13ecb03bfde32a5bafc9d93b..8b6232c7b6e322626767a4680b50cfbaa8e357e1 100644 --- a/test/xc_functionals/refactor_test/testuite-xc.ref.log +++ b/test/xc_functionals/refactor_test/testuite-xc.ref.log @@ -994,9 +994,6 @@ qe_xc: 0.00 HSE ( 1 4 12 4 0 0) }, { "XC_functional_name": "LDA_C_PW" - }, - { - "XC_functional_name": "LDA_X" } ] qe_xc: 0.00 SLA PW PBX PBC ( 1 4 3 4 0) @@ -1052,9 +1049,6 @@ qe_xc: 0.25 HSE ( 1 4 12 4 0 0) }, { "XC_functional_name": "LDA_C_PW" - }, - { - "XC_functional_name": "LDA_X" } ] qe_xc: 0.25 PBE0 ( 6 4 8 4 0 0)