terrible mistake! adjusted cutoff for SiC

diff --git a/moldyn.h b/moldyn.h
index 9f9d0f7..13f4e9b 100644 (file)
--- 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