Index

Core dictionary version 3.0.14

_refln.F_complex

Definition:

   
     The structure factor vector for the reflection calculated from
     the atom site data.

Type: Complex

Definition method:

         If (_diffrn_radiation.probe == "neutron")  _units.code =  "femtometres"
    Else If (_diffrn_radiation.probe == "electron") _units.code =  "volts"
    Else                                            _units.code =  "electrons"

Evaluation method:

   With r  as  refln
 
      fc  =   Complex (0., 0.)
      h   =   r.hkl
 
   Loop a  as  atom_site  {
 
          f  =   a.site_symmetry_multiplicity * a.occupancy * ( 
                         r.form_factor_table [a.type_symbol]      +
                        _atom_type_scat[a.type_symbol].dispersion  )
 
      Loop s  as  space_group_symop  {
 
          t   =  Exp(-h * s.R * a.tensor_beta * s.RT * h)
 
          fc +=  f * t * ExpImag(TwoPi *( h *( s.R * a.fract_xyz + s.T)))
   }  }
          _refln.F_complex  =   fc / _space_group.multiplicity

Category:
refln