diff --git a/parser/parser-quantum-espresso/QuantumEspressoXC.py b/parser/parser-quantum-espresso/QuantumEspressoXC.py index 9558c601bda69fbb1071fcc9b12d52dc4b9fdff6..edee80956555da2a1d89c45695bfeab0aa299464 100644 --- a/parser/parser-quantum-espresso/QuantumEspressoXC.py +++ b/parser/parser-quantum-espresso/QuantumEspressoXC.py @@ -859,6 +859,9 @@ CORRELATION_GRADIENT_CORRECTION = [ 'xc_terms': [{ 'XC_functional_name': "MGGA_C_TPSS", }], + 'xc_terms_subtract': [{ + 'XC_functional_name': 'LDA_C_PW', + }], 'xc_section_method': { 'x_qe_xc_igcc_name': "tpss", 'x_qe_xc_igcc_comment': "TPSS Meta-GGA (Espresso-version < 5.1)", diff --git a/test/xc_functionals/refactor_test/testuite-xc.ref.log b/test/xc_functionals/refactor_test/testuite-xc.ref.log index 26110909f872c03b8ce2604f1b93e535e4a713d9..dc1da2d33eecbc80b1ab52f711af653b26d16f8c 100644 --- a/test/xc_functionals/refactor_test/testuite-xc.ref.log +++ b/test/xc_functionals/refactor_test/testuite-xc.ref.log @@ -54,9 +54,6 @@ qe_xc: 0.00 SLA PW TPSS TPSS ( 1 4 7 6 0) "x_qe_xc_igcx_name": "tpss" } [ - { - "XC_functional_name": "LDA_C_PW" - }, { "XC_functional_name": "MGGA_C_TPSS" }, @@ -851,9 +848,6 @@ qe_xc: 0.00 SLA PW TPSS TPSS (1476) "x_qe_xc_igcx_name": "tpss" } [ - { - "XC_functional_name": "LDA_C_PW" - }, { "XC_functional_name": "MGGA_C_TPSS" },