[CPMD-list] Vanderbilt Pseudopotential

[Keta Jones]

Could anyone please help for my following querries ?

I want to create the Vanderbilt PP for water using
uusp.
First I am testing with oxygen.Also I do not know how
to build PP for water though I can build for Oxygen
and Hydrogen separately.
I was going through the example input files for
oxygen.
But in file "o_ae_s2p4.adat" in line 5 
I can not know how to entry the keyword like
aasf,bbsf.
I want to know how to calculate that value, though I
have the eqn
r(i) = (1/z)*{exp(-aasf + [i-1]/bbsf)-exp(-aasf)}

I know my z.Then how to proceed.

Thanks in advance.


=====
Keta
*********************************************************************************************************************
 Keta Jones                                                     
Graduate Student                                            
Xavier Institute                                                
Singapore                                                        
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