[Wien] kmax for lapw3

[ZhenChen]

Dear all wien2k users,

When I calculated the X-ray form factor of every atom in a crystal using the program lapw3, I found that the maximum sin(theta/lambda) value for X-ray FORM factor of every atom cannot be changed. So I'm eager to know how to get the form factors for larger sin(theta/lambda) values? 
Surely I noticed the message: "Specify max sin(theta/lambda) value (A-1)", when I executed lapw3. However, this maximum value only affects the X-Ray STRUcture factor for a unit cell, but not the X-ray FORM factor for every atom. I also changed the RKmax, number of k-points and gmax, but the maximum  sin(theta/lambda) value calculated for the Form factors is never changed. So I am puzzling whether or not it can be increased manually!? 
By the way, I used both wien2k_10 and wien2k_11 versions, and tried lapw3 for several cases including the example of TiC structure. All cases seem to have common sin(theta/lambda) values of about 1.6A-1 ??
All responses will be appreciated!

Best,
Zhen
2011-11-01 



   PhD. candidate  Zhen Chen
------------------------------
Prof. Jianqi Li's group, A06
Beijing Laboratory of Electron Microscopy 
Institute of Physics 
Chinese Academy of Sciences
P. O. Box 603 
Beijing 100190, China
Tel: 86-10-82648001
URL: http://www.blem.ac.cn/english/study-A06-1.asp 
　　　　　　　　zchen at blem.ac.cn
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