changed signes -> more intuitive!

[physik/posic.git] / moldyn.h

diff --git a/moldyn.h b/moldyn.h
index 13f4e9b..36e701e 100644 (file)
--- a/moldyn.h
+++ b/moldyn.h
@@ -327,7 +327,7 @@ typedef struct s_moldyn {
 #define ALBE_R_SI              (2.82-0.14)
 #define ALBE_S_SI              (2.82+0.14)
 #define ALBE_A_SI              (3.24*EV/0.842)
-#define ALBE_B_SI              (1.842*3.24*EV/0.842)
+#define ALBE_B_SI              (-1.842*3.24*EV/0.842)
 #define ALBE_R0_SI             2.232
 #define ALBE_LAMBDA_SI         (1.4761*sqrt(2.0*1.842))
 #define ALBE_MU_SI             (1.4761*sqrt(2.0/1.842))
@@ -341,7 +341,7 @@ typedef struct s_moldyn {
 #define ALBE_R_C               (2.00-0.15)
 #define ALBE_S_C               (2.00+0.15)
 #define ALBE_A_C               (6.00*EV/1.167)
-#define ALBE_B_C               (2.167*6.00*EV/1.167)
+#define ALBE_B_C               (-2.167*6.00*EV/1.167)
 #define ALBE_R0_C              1.4276
 #define ALBE_LAMBDA_C          (2.0099*sqrt(2.0*2.167))
 #define ALBE_MU_C              (2.0099*sqrt(2.0/2.167))
@@ -355,7 +355,7 @@ typedef struct s_moldyn {
 #define ALBE_R_SIC             (2.40-0.20)
 #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_B_SIC             (-1.847*4.36*EV/0.847)
 #define ALBE_R0_SIC            1.79
 #define ALBE_LAMBDA_SIC                (1.6991*sqrt(2.0*1.847))
 #define ALBE_MU_SIC            (1.6991*sqrt(2.0/1.847))