[Pw_forum] Pseudopotential for "hydrogen-like atoms" or "pseudo hydrogens"

Paolo Giannozzi giannozz at democritos.it
Tue May 25 12:28:36 CEST 2010


On May 22, 2010, at 11:22 , 柯常 wrote:

> I need the H(Z=4/3) and H(Z=2/3)

never heard about such values. Some time ago, upon popular request,
I put on the web site these fake H PPs :
   Z=0.50 http://www.quantum-espresso.org/pseudo/1.3/UPF/H.pz- 
vbc_050.UPF
   Z=0.75 http://www.quantum-espresso.org/pseudo/1.3/UPF/H.pz- 
vbc_075.UPF
   Z=1.25 http://www.quantum-espresso.org/pseudo/1.3/UPF/H.pz- 
vbc_125.UPF
>

   Z=1.50 http://www.quantum-espresso.org/pseudo/1.3/UPF/H.pz- 
vbc_150.UPF

P.
---
Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222






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