[Wien] [SPAM?] spin charge density

[zhchwsd@163.com]

 Dear, 
     Thinks your information about my question. but l have yet some puzziles
      1. I want to module the spin density of Ga1-xMnxAs [PRB, 64, 35207], so I make the in5 file by crysden as follows:
------------------------------
15000000 15000000 5000000 10000000
15000000 15000000 15000000 10000000
5000000 5000000 5000000 10000000
3 2 3
114 81
DIFF SUB 
ATU VAL NODEBUG
NONORTHO
-----------------------
  After completing the "X LAPW5 -UP", I plot the spin density contour, but it isn't same as the piture of  Ga1-xMnxAs [PRB, 64, 35207]. I don't know why? 
   2. I want to module the tota valence density of Ga1-xMnxAs [PRB, 64, 35207], so I make the in5 file as follows:
------------------------------
15000000 15000000 5000000 10000000
15000000 15000000 15000000 10000000
5000000 5000000 5000000 10000000
3 2 3
114 81
All 
ATU VAL NODEBUG
NONORTHO
-------------------------------
 Then calculated with the "X LAPW5 -UP", am i right? 
   3. I want to plot the density contour with Orgin software, but when the file"rho" is imported to Orgin, it doesn't show the density correctly. How the data "rho" are treated ?
  Thinks!
 
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