how to determine the values of ratsph to compute PDOS ???
Posted: Fri Jun 10, 2011 11:11 am
hello!
I try to determine the radius of the atomic spheres to compute PDOS with prtdos 3.I have red the help file for ratsph, its description was too general.Could anybody enlighten us and help us how to determine the radius of the atomic spheres ?
Thank you very much in advance!
Yours
hjli
I try to determine the radius of the atomic spheres to compute PDOS with prtdos 3.I have red the help file for ratsph, its description was too general.Could anybody enlighten us and help us how to determine the radius of the atomic spheres ?
Thank you very much in advance!
Yours
hjli