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[physik/posic.git]
/
moldyn.h
diff --git
a/moldyn.h
b/moldyn.h
index
9f9d0f7
..
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_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))
#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_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))
#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))
@@
-353,9
+353,9
@@
typedef struct s_moldyn {
#define ALBE_LC_C 3.566
#define ALBE_R_SIC (2.40-0.20)
#define ALBE_LC_C 3.566
#define ALBE_R_SIC (2.40-0.20)
-#define ALBE_S_SIC (2.40+0.
1
0)
+#define ALBE_S_SIC (2.40+0.
2
0)
#define ALBE_A_SIC (4.36*EV/0.847)
#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))
#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))