KCALC_ReadMe.txt

KCALC Instructions
Jonathan Denlinger

¥ Add to Procedure window
#include "Kspace_calc"
also uses:
#include "list_util"
#include "wav_util"	//8/5/02 MkGrid() modified with AppendNAN()
#include "BZ"
      #include "Tags"            // called by wav_util

Pulldown:  kspace >  Show KCALC Panel

¥ Subfolders defined:
root:KCALC:
root:BZ:CUBIC:cubic001_100

¥ To get other BZ definitions, use DataBrowser to copy subfolders from 
BrillouinZoneDefns.pxp
-- copy into
root:BZ:TYPE:DIRECTION
where
  TYPE = { CUBIC, BCT, FCC, BCC, HEX, ORTHO_base, RHOMB}
  SPECIFIC = 
      Type001_100   - KxKz Angle-Photon map, Kz||<001>, Kx||<100>
      Type001_z0    -- KxKy angle map at specific kz=0
      Type001_z1   -- KxKy angle map at specific kz=pi/c
      Type110_...
       Type111_...
      etc.


¥ Plotting Angle array and BZ goes to K_Plot Window
  then Export to root: with specific base names

¥ Plotting Grid:
   KxKy-PolElev = Fixed Photon Energy, Vary elevation vs polar
   KxKy-PolPhot =  Fixed Elevation angle, Vary Photon energy & polar angle
       -- off = offset = experimental scale offset or Work Function (hv)
    -- other values in panel:
       Kin = K_total inside crystal for fixed hv or minimum hv range at normal emission
       Number of points to be plotted, Np=total

¥ Plotting BZ:
 a, c  => kx, kz axes    or   kx, ky axes (c=b)
 #(a), #(c) input = indices of BZs to plot  
-- #(c) = vertical, #(a) = direction based on BZ stacking
Axis plotting options:
   Autoscale: includes both Grid & BZ
   Manual:   no change from current setting
   Scale to Grid:  Use Grid min/max only
  

¥ Photon momentum (for high energy ARPES, noticeable above Å500 eV)
   Ã p_hv  (checkbox)
    angle = photon incident angle relative to normal emission
        0 = normal incidence => kinetic energy kick in Kz only
        90 = grazing incidence => Kx kick only
        60 deg = typical

¥ To view BZ definitions or to edit:
  --select "new/edit"   =>  display a BZ plot and a Table
  -- Table contains:
      SYMpt - symmetry point text label
      BZx0, BZy0 = symmetry point in simplified scaling system 
           e.g. typically using only 0,0.5, 1,1.5, 2
     basis_x, basis_y:
         basis_x[0], basis_y[0] = scaling factor to get to (pi/a) units
            -- set a=c=3.1416 outputs just simple BZ to scale factor BZ
        (basis_x[1], basis_y[1] ) = simplified vector repeat distance #1
        (basis_x[2], basis_y[2] ) = simplified vector repeat distance #2

¥ Export Grid and/or BZ:
   Export button gives options of Grid & BZ, Grid only, BZ only & Display or Append
   ¥ Adding BZ symmetry point labeling to Exported plot:
     -- Draw marquee box around symmetry points to label & select TagSymPts
              -- must have same BZ selected in KCALC panel as BZ being labeled