diff --git a/parser/parser-quantum-espresso/QuantumEspressoXC.py b/parser/parser-quantum-espresso/QuantumEspressoXC.py index 3962cf006abe49ed1d52e864d5aa58e7cd638121..dbc786e1cba4aa757a26a03d42f6962cb0d0d3fe 100644 --- a/parser/parser-quantum-espresso/QuantumEspressoXC.py +++ b/parser/parser-quantum-espresso/QuantumEspressoXC.py @@ -646,6 +646,9 @@ EXCHANGE_GRADIENT_CORRECTION = [ 'xc_terms': [{ 'XC_functional_name': "GGA_X_Q2D", }], + 'xc_terms_subtract': [{ + 'XC_functional_name': 'LDA_X', + }], 'xc_section_method': { 'x_qe_xc_igcx_name': "q2dx", 'x_qe_xc_igcx_comment': "Q2D exchange 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 fe318c150d956d3a334ba358230db43f3f72b50c..ac732f82505c78625dc64856679afd661abdd5b8 100644 --- a/test/xc_functionals/refactor_test/testuite-xc.ref.log +++ b/test/xc_functionals/refactor_test/testuite-xc.ref.log @@ -536,9 +536,6 @@ qe_xc: 0.00 SLA+PW+Q2DX+Q2DC ( 1 4 19 12 0 0) }, { "XC_functional_name": "LDA_C_PW" - }, - { - "XC_functional_name": "LDA_X" } ] qe_xc: 0.00 VDW-DF ( 1 4 4 0 1)