[CP2K-user] [CP2K:17542] Pseudopotential generation in ATOM

[Shahjad Ali]

Dear Sir

I am having an issue with PP generation in ATOM programme for Sulpher (S). 
This is the input, please help me in figure out the problem with this input.

   pe       Sulpher 
        tm2      3.0             # PS flavor, logder R
   S    pb
     0.000     0.000     0.000     0.000     0.000     0.000
    3    4
    3    0     2.000     0.000    #2s
    3    1     4.000     0.000    #2p
    3    2     0.000     0.000    #3d
    4    3     0.000     0.000    #4f
   1.7000   1.70000   1.9000   1.90000   0.00000   1.90000

#23456789012345678901234567890123456789012345678901234567890      Ruler


Thanks & regards
Shahjad 

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