diff --git a/parser/parser-quantum-espresso/QuantumEspressoXC.py b/parser/parser-quantum-espresso/QuantumEspressoXC.py index ab149b507151967ea7da4ee190023eb337480503..5afe43d83abc361acee1696c195ab0097dadcb0e 100644 --- a/parser/parser-quantum-espresso/QuantumEspressoXC.py +++ b/parser/parser-quantum-espresso/QuantumEspressoXC.py @@ -941,6 +941,9 @@ CORRELATION_GRADIENT_CORRECTION = [ 'xc_terms': [{ 'XC_functional_name': "GGA_C_Q2D", }], + 'xc_terms_subtract': [{ + 'XC_functional_name': 'LDA_C_PW', + }], 'xc_section_method': { 'x_qe_xc_igcc_name': "q2dc", 'x_qe_xc_igcc_comment': "Q2D correlation grad corr", diff --git a/test/xc_functionals/refactor_test/testuite-xc.ref.log b/test/xc_functionals/refactor_test/testuite-xc.ref.log index 9d74a950127dda7aa9c3036f2f03c7075e73cd49..99ce819cf91109e3d725567e4a5e6355db486d04 100644 --- a/test/xc_functionals/refactor_test/testuite-xc.ref.log +++ b/test/xc_functionals/refactor_test/testuite-xc.ref.log @@ -485,9 +485,6 @@ qe_xc: 0.00 SLA+PW+Q2DX+Q2DC ( 1 4 19 12 0 0) }, { "XC_functional_name": "GGA_X_Q2D" - }, - { - "XC_functional_name": "LDA_C_PW" } ] qe_xc: 0.00 VDW-DF ( 1 4 4 0 1)