[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
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