From 901a8b4fd1ab6538e9142a8a8569e45f4affef03 Mon Sep 17 00:00:00 2001 From: WU2JING <68996784+WU2JING@users.noreply.github.com> Date: Tue, 18 May 2021 11:13:46 +0800 Subject: [PATCH] Create 2nd and POSCAR --- phonoLAMMPS/2nd and POSCAR | 8 ++++++++ 1 file changed, 8 insertions(+) create mode 100644 phonoLAMMPS/2nd and POSCAR diff --git a/phonoLAMMPS/2nd and POSCAR b/phonoLAMMPS/2nd and POSCAR new file mode 100644 index 0000000..8e33ca3 --- /dev/null +++ b/phonoLAMMPS/2nd and POSCAR @@ -0,0 +1,8 @@ +units metal +boundary p p p +atom_style atomic +read_data opt.data +mass * 12.0107 +pair_style deeepmd graph.pb +pair_coeff +neighbor 0.3 bin