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del_parameter [2019/07/26 17:13]
johnsoevans
del_parameter [2019/07/26 17:14] (current)
johnsoevans
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 <code topas> <code topas>
 +
 cell parameter ​      %min = Max(1.5, 0.995 Val - .05);  %max = 1.005 Val + .05;         del = 0.0001 Val; cell parameter ​      %min = Max(1.5, 0.995 Val - .05);  %max = 1.005 Val + .05;         del = 0.0001 Val;
 cell angle           %min = Max(1.5, Val - .2);         %max = Val + .2;                del 0.01 cell angle           %min = Max(1.5, Val - .2);         %max = Val + .2;                del 0.01
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 fractional_coordinate min = Val-Constant(1/​Get(a)); ​     max = Val+Constant(1/​Get(a)); ​ del = Constant(.1 / Get(a)); ​ fractional_coordinate min = Val-Constant(1/​Get(a)); ​     max = Val+Constant(1/​Get(a)); ​ del = Constant(.1 / Get(a)); ​
 sh_Cij_prm ​           min = -Abs(Val) 2 - .1;            max =  Abs(Val) 2 + .1;        del = If(Val < 0, -0.01, .01) + .01 Val; sh_Cij_prm ​           min = -Abs(Val) 2 - .1;            max =  Abs(Val) 2 + .1;        del = If(Val < 0, -0.01, .01) + .01 Val;
 +
 </​code>​ </​code>​
   ​   ​
  

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