We want to plot the contour DENSITIES due to a certain Kohn-Sham
orbital.
    We understand that the standard procedure gives us only the orbitals
but not
     the square of the orbital. It is also posible to combine several
orbitals, but
    we want to add the densities associated to several different
orbitals .
    Is it possible ?. How can we generate a TAPE41 file from which
extract
    those partial densities ?.
    Thanks
    Angel Maņanes

     Dr Angel Maņanes Perez
 Departamento de Fisica Moderna
 Facultad de Ciencias Tlf: 34 942 201454
 Universidad de Cantabria Fax: 34 942 201402
 Avda. Los Castros s/n email: mananesa_at_unican.es
 39005 Santander (Spain)
Received on 2001-12-17 12:42:01