From ea66c49c0c135504efb7dc1dc8f3844cb3d83630 Mon Sep 17 00:00:00 2001
From: Henning Glawe <glaweh@debian.org>
Date: Wed, 29 Nov 2017 21:28:03 +0100
Subject: [PATCH] remove LDA_X from GGA_X_C09X
---
parser/parser-quantum-espresso/QuantumEspressoXC.py | 3 +++
1 file changed, 3 insertions(+)
diff --git a/parser/parser-quantum-espresso/QuantumEspressoXC.py b/parser/parser-quantum-espresso/QuantumEspressoXC.py
index 6d4aa58..c7b3551 100644
--- a/parser/parser-quantum-espresso/QuantumEspressoXC.py
+++ b/parser/parser-quantum-espresso/QuantumEspressoXC.py
@@ -608,6 +608,9 @@ EXCHANGE_GRADIENT_CORRECTION = [
'xc_terms': [{
'XC_functional_name': "GGA_X_C09X",
}],
+ 'xc_terms_subtract': [{
+ 'XC_functional_name': 'LDA_X',
+ }],
'xc_section_method': {
'x_qe_xc_igcx_name': "c09x",
'x_qe_xc_igcx_comment': "Cooper 09",
--
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