From f7ebd79d7d3bdb5f72218848890fe83d76a8e646 Mon Sep 17 00:00:00 2001
From: Henning Glawe <glaweh@debian.org>
Date: Thu, 30 Nov 2017 12:36:19 +0100
Subject: [PATCH] remove LDA_C_PW from "old" tb09
---
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 869fc6b..bdb76f9 100644
--- a/parser/parser-quantum-espresso/QuantumEspressoXC.py
+++ b/parser/parser-quantum-espresso/QuantumEspressoXC.py
@@ -916,6 +916,9 @@ 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': "tb09",
'x_qe_xc_igcc_comment': "TB09 Meta-GGA (Espresso-version < 5.1)",
--
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