Dear colleagues,
I am reaching out to you with a problem I am facing at the moment.
I am not able to use the value of a density from the Phase_Density_g_on_cm3( 0) as value elsewhere.
The common way I am following is to put a variable name in front of the value which does not work here (maybe because it is inside a macro?)
Please find below the struture of beltie to illustrate my problem. I add the value 3.29 manually as I was not able to use it from Phase_Density_g_on_cm3( 0)
prm !mac_sample = 102.5;
prm !kfactor = 312.593;
'----------------------------------------------------------------------------------
' Belite, alpha-C2S
'----------------------------------------------------------------------------------
str
CS_L(cs_c2s_AlphaH, 800 min =64; max =1000;)
r_bragg 0
phase_name "Belite-alpha"
MVW( 0,V_belitealphah 0,wp_belitealphah 0)
scale sc_c2s_AlphaH 1e-005
space_group "P n m a"
K_Factor_WP( 0)
prm ExtWP_belitealphah = (sc_c2s_AlphaH*(3.29*V_belitealphah*V_belitealphah*mac_sample)/kfactor); : 0
Phase_LAC_1_on_cm( 0)
Phase_Density_g_on_cm3( 0)
Preferred_Orientation(!po_belite_alpha, 1 min =0.85; max =1.1;,, 0 1 -3)
a a_c2s_AlphaH 6.772999999 min =6.75; max =6.773;
b b_c2s_AlphaH 5.50160678 min =5.50; max =5.53;
c c_c2s_AlphaH 9.316646743 min =9.28; max =9.33; '{{{
site Ca1 num_posns 8 x 0.3344 y 0.2815 z 0.5725 occ Ca+2 0.5 beq 1
site Ca2 num_posns 8 x 0.9947 y 0.2721 z 0.2939 occ Ca+2 0.5 beq 1
site Si1 num_posns 4 x 0.778 y 0.25 z 0.5889 occ Si+4 1 beq 1
site O1 num_posns 8 x 0.9952 y 0.3075 z 0.554 occ O-2 0.5 beq 1
site O2 num_posns 8 x 0.7485 y 0.0424 z 0.6939 occ O-2 0.5 beq 1
site O3 num_posns 8 x 0.6727 y 0.1807 z 0.4487 occ O-2 0.5 beq 1
site O4 num_posns 8 x 0.6939 y 0.4845 z 0.6474 occ O-2 0.5 beq 1 '}}}
I kindly ask for your support.
Best regards
Patrick