Create 2nd and POSCAR

WU2JING · May 18, 2021 · 901a8b4 · 901a8b4
1 parent 8c417e6
commit 901a8b4
Showing 1 changed file with 8 additions and 0 deletions.
diff --git a/phonoLAMMPS/2nd and POSCAR 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