diff --git a/parser/parser-quantum-espresso/QuantumEspressoXC.py b/parser/parser-quantum-espresso/QuantumEspressoXC.py index c7b35513a0157adb06a7a924e578e38ffd6feb1d..3962cf006abe49ed1d52e864d5aa58e7cd638121 100644 --- a/parser/parser-quantum-espresso/QuantumEspressoXC.py +++ b/parser/parser-quantum-espresso/QuantumEspressoXC.py @@ -621,6 +621,9 @@ EXCHANGE_GRADIENT_CORRECTION = [ 'xc_terms': [{ 'XC_functional_name': "GGA_X_SOGGA", }], + 'xc_terms_subtract': [{ + 'XC_functional_name': 'LDA_X', + }], 'xc_section_method': { 'x_qe_xc_igcx_name': "sox", 'x_qe_xc_igcx_comment': "sogga", diff --git a/test/xc_functionals/refactor_test/testuite-xc.ref.log b/test/xc_functionals/refactor_test/testuite-xc.ref.log index 08571241cc7d5ff480cf01b866ae6cfbec640e07..fe318c150d956d3a334ba358230db43f3f72b50c 100644 --- a/test/xc_functionals/refactor_test/testuite-xc.ref.log +++ b/test/xc_functionals/refactor_test/testuite-xc.ref.log @@ -458,9 +458,6 @@ qe_xc: 0.00 SOGGA ( 1 4 17 4 0 0) }, { "XC_functional_name": "LDA_C_PW" - }, - { - "XC_functional_name": "LDA_X" } ] qe_xc: 0.00 PBE ( 1 4 3 4 0 0)