[Wien] orientation sensitive

波 康 wientwok at yahoo.com.cn
Sun Feb 25 02:14:54 CET 2007


Dear wien users,
   
          I want to calculate the energy loss near edge structure using telnes.2 program. I want to take into account the relative orientation between sample and beam. I have compiled with the parameter LXDOS set to 3. But when I run "x telnes2 -c", it appeared a error files named telnes2.error. The content is " Orientation resolved calculation selected and DOS has to be calculated, but ISPLIT is not 99".
          I don't know how to solve this problem, can anyone tell me ?
          
          Thank you in advance!      
                                                                                       BoKang


 

 		
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