[Wien] about DX parameter for the radial mesh
    thomas.mazet 
    mazet at lcsm.uhp-nancy.fr
       
    Wed Nov 19 11:47:44 CET 2003
    
    
  
Dear Wien users,
 There is something unclear for me :
 in the UG it written that the radial mesh is given on a log scale :
 
      r(n)= R0 * e[(n-1)DX]
 in the input we give R0 (first radial mesh point) and NPT (number of 
radial mesh point) but how is determined/defined DX ???
Does this radial mesh extend beyond the muffin tin radius of the atom ??
Thanks in advance
Thomas 
-- 
Thomas MAZET
Laboratoire de Chimie du Solide Minéral (UMR 7555)
Université Henri Poincaré-Nancy I
BP 239 54506 Vandoeuvre les Nancy Cedex
FRANCE
Tel.: +33-(0)3-83-68-46-77
Fax : +33-(0)3-83-68-46-11
    
    
More information about the Wien
mailing list