[Pw_forum] second energy parameter setting in RRKJ USPP

[明文美]

Dear all:
  
      I want to generate my own RRKJ type ultrasoft pseudopotential with atomic code in PWSCF,
I encountered a very confusing situation: 
   
  when I chose -0.20Ry as the second energy used to pseudize the 5s orbit, the ld1.x always complains :
=================================================
    from gener_pseudo : error #         1     too many nodes 
=================================================
   however if I change the energy to be -0.50Ry, the corresponding complain disappeared.
 
How should I choose these energy parameters to generate a good pseudopotential and how should I have a 
correct understanding of these parameters?
 
Thanks very much .
 
Wenmei 
 
My &inputp file is also listed as :
 
 64D  3  2   10   0.00  1.00   2.004D  3  2   0    -0.20 1.00   2.005S  1  0   2    0.00  2.00   2.505S  1  0   0    -0.50  2.00   2.505P  2  1   3    0.00  2.66   2.985P  2  1   0    -0.20  2.66   2.98
 
 
    
 
 
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