Topas prm keyword

[Habib Boughzala]

Hi,

My mail is intended to Topas users, especially to Dr. Alan Coelho

I am trying to determine the carbonate / hydroxide ratio in some compounds.
This is a part of 'str' block In the input file (*.inp)
__________________________________________________________________________
Str  
....
 Prm  oh  0.5
....
  Site OH num_posns 4 x  0 y  0 z  0.315309 occ O =oh; :  0.5 min =0; max =0
5; beq  1
  Site C num_posns 2 x  0 y  0 z  0 occ C =1 - 0.5 oh; :  1 min =0; max =0.5
 beq  1
  Site Oc num_posns 12 x  0.040114 y  0.953411 z  0.629971 occ O =(1 - 0.5
oh) / 3; :  1 min =0; max =0.25; beq  1
__________________________________________________________________________
 
Topas 4.2 run failed...  Error: prm command in unrecognised !!!
 
Any suggestion ?
 
P.S. This keyword is unrecognised too in all tutorials inp file examples !!!
 
Thanks for help
 
Habib
  
Prof. Habib Boughzala. 
Laboratoire de Matériaux et Cristallochimie.
Association Tunisienne de Cristallographie
I.P.E.I.N. Mrezga, 8000. 
Nabeul. Tunisie.

<<faint_grain.jpg>>

<<IMSTP12.gif>>