From d0d09d054c7c358847f366d842919d074788eb00 Mon Sep 17 00:00:00 2001 From: hackbard Date: Mon, 10 Sep 2007 13:29:26 +0200 Subject: [PATCH] terrible mistake! adjusted cutoff for SiC --- moldyn.h | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/moldyn.h b/moldyn.h index 9f9d0f7..13f4e9b 100644 --- a/moldyn.h +++ b/moldyn.h @@ -353,7 +353,7 @@ typedef struct s_moldyn { #define ALBE_LC_C 3.566 #define ALBE_R_SIC (2.40-0.20) -#define ALBE_S_SIC (2.40+0.10) +#define ALBE_S_SIC (2.40+0.20) #define ALBE_A_SIC (4.36*EV/0.847) #define ALBE_B_SIC (1.847*4.36*EV/0.847) #define ALBE_R0_SIC 1.79 -- 2.20.1