From a1149efbfa3bb0f3589ff2fd81e86c8476795b9f Mon Sep 17 00:00:00 2001
From: athomps <athomps@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Mon, 5 Oct 2015 18:52:13 +0000
Subject: [PATCH] Added elastic constant example at finite temperature
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14102 f3b2605a-c512-4ea7-a41b-209d697bcdaa
---
examples/ELASTIC_T/in.elastic | 3 +++
1 file changed, 3 insertions(+)
diff --git a/examples/ELASTIC_T/in.elastic b/examples/ELASTIC_T/in.elastic
index 0c6b70b6dc..47f662e97a 100644
--- a/examples/ELASTIC_T/in.elastic
+++ b/examples/ELASTIC_T/in.elastic
@@ -146,6 +146,9 @@ variable C56all equal 0.5*(${C56}+${C65})
variable C11cubic equal (${C11all}+${C22all}+${C33all})/3.0
variable C12cubic equal (${C12all}+${C13all}+${C23all})/3.0
variable C44cubic equal (${C44all}+${C55all}+${C66all})/3.0
+
+# Average moduli for cubic crystals
+
variable bulkmodulus equal (${C11cubic}+2*${C12cubic})/3.0
variable shearmodulus1 equal ${C44cubic}
variable shearmodulus2 equal (${C11cubic}-${C12cubic})/2.0
--
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