diff --git a/potentials/BN.extep b/potentials/BN.extep index 1b9f46c7681077d1422d175010318a73aeafdb35..8732ada84bf95dc6814d0ef839b18b686a4e914d 100644 --- a/potentials/BN.extep +++ b/potentials/BN.extep @@ -107,8 +107,3 @@ N B N 3 1.0 0.0d0 306.586555205d0 10.d0 -0.7218d0 0.6576543657d0 0 N N 4 2 0.0060 -0.0073 0.0000 0.0000 N N 4 3 0.0000 0.0000 0.0000 0.0000 N N 4 4 0.0000 0.0000 0.0000 0.0000 - -# Elastic properties -# ================== -# hBN: B=164 N/M; C11=290 N/M; kappa=0.64 eV -# cBN: B=402 GPa; C11=567 GPa; C66=533 GPa