[Wien] case.epsilon from imposed case.joint with kram routine
    abdel Mar.. 
    abdel3a000 at hotmail.fr
       
    Thu Mar  7 16:17:54 CET 2013
    
    
  
thank you again Gavin, i resolved the problem as the following :
-create a case.joint by a normal x joint 
-modification of case.joint  with wanted values (  energies and  k values )
-execute a small program fortran to formate modified case.joint respecting  kram.f read format (f13.5,9(1x,e18.8).
- execute x kram   to generate case.epsilon : in this case.epsilon  containning n and  k 
i hope that is physically correct , since it is a mathematical transformation.
 so if we can  past from Im to Re  with kk transformation
we can also past from k to n with the same transformation.
  Reagards
 		 	   		  
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20130307/f75e1395/attachment.htm>
    
    
More information about the Wien
mailing list