From e30974e07def8009e65e73a7af4cea8a9103a667 Mon Sep 17 00:00:00 2001 From: Chazeon Date: Sun, 11 Apr 2021 22:10:53 -0400 Subject: [PATCH] Update tensor symmetry relation table --- cij/data/constraints/trigonal6 | 7 +++++++ cij/data/constraints/trigonal7 | 10 ++++------ 2 files changed, 11 insertions(+), 6 deletions(-) create mode 100644 cij/data/constraints/trigonal6 diff --git a/cij/data/constraints/trigonal6 b/cij/data/constraints/trigonal6 new file mode 100644 index 0000000..77df166 --- /dev/null +++ b/cij/data/constraints/trigonal6 @@ -0,0 +1,7 @@ +c11 = c22 +c13 = c23 +c14 = -c24 = c56 +c15 = -c25 = -c46 +c44 = c55 +c66 = (c11 - c12) / 2 +c16 = c26 = c34 = c35 = c36 = c45 = 0 diff --git a/cij/data/constraints/trigonal7 b/cij/data/constraints/trigonal7 index 334a689..9ecf054 100644 --- a/cij/data/constraints/trigonal7 +++ b/cij/data/constraints/trigonal7 @@ -1,9 +1,7 @@ -c11 = c12 +c11 = c22 c13 = c23 -c44 = c55 -c14 = -c24 = -c56 / 2 +c14 = - c24 = c56 / 2 +c15 = - c25 = - c46 / 2 c44 = c55 c66 = (c11 - c12) / 2 -c15 = c25 = c35 = c45 = 0 -c16 = c26 = c36 = c46 = 0 -c34 = 0 \ No newline at end of file +c16 = c26 = c34 = c35 = c36 = c45 = 0