[Pw_forum] ultra soft psps (ld1 vs uspp)

[Lazaro Calderin]

Hi every one,

I wonder if someone could point me to a reference or provide some hints
on how ultra-soft pseudo potentials are calculated in ld1.x as compared
to Vanderbilt's code.

I was able to design a large cutoff ultra-soft pseudo potential for Hg
using ld1.x (espresso 3.2), but I could not reproduce the same pseudo
using Vanderbilt's code (uspp 7.3.6).

I have started digging into the code but in the mean time any info would
be very helpful.

Thanks, Lazaro

-- 
=============================================================
Dr. Lazaro Calderin, Ph.D.                        
Dpt. of Theoretical, Atomic and Optical Physics        
Univ. of Valladolid, 47005 Valladolid. Spain 
Phone: +34 983 423891   Fax: +34 983 423013   
E-mails: calderin at fta.uva.es  or  calderin at physics.queensu.ca