From 69b0d4339d78a39b921d8109384fe89f21871400 Mon Sep 17 00:00:00 2001 From: Atsushi Togo Date: Mon, 23 Jul 2018 13:53:34 +0900 Subject: [PATCH] Very minor update of README in NaCl-gruneisen --- example/NaCl-gruneisen/README | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/example/NaCl-gruneisen/README b/example/NaCl-gruneisen/README index ebde8850..69da57e0 100644 --- a/example/NaCl-gruneisen/README +++ b/example/NaCl-gruneisen/README @@ -1,7 +1,7 @@ For band structure type calculation: -% gruneisen NaCl-1.00 NaCl-1.005 NaCl-0.995 --dim="2 2 2" --pa="0 1/2 1/2 1/2 0 1/2 1/2 1/2 0" --band="1/2 1/4 3/4 0 0 0 1/2 1/2 1/2 1/2 0.0 1/2" -p -c POSCAR-unitcell --nac +% phonopy-gruneisen NaCl-1.00 NaCl-1.005 NaCl-0.995 --dim="2 2 2" --pa="0 1/2 1/2 1/2 0 1/2 1/2 1/2 0" --band="1/2 1/4 3/4 0 0 0 1/2 1/2 1/2 1/2 0.0 1/2" -p -c POSCAR-unitcell --nac For mesh sampling calculation: -% gruneisen NaCl-1.00 NaCl-1.005 NaCl-0.995 --dim="2 2 2" --pa="0 1/2 1/2 1/2 0 1/2 1/2 1/2 0" --mesh="20 20 20" -p -c POSCAR-unitcell --nac +% phonopy-gruneisen NaCl-1.00 NaCl-1.005 NaCl-0.995 --dim="2 2 2" --pa="0 1/2 1/2 1/2 0 1/2 1/2 1/2 0" --mesh="20 20 20" -p -c POSCAR-unitcell --nac