[Pw_forum] another two problems about the pseudopotential

[li yan]

first, i will appreciate to paolo for your help. but i encontered two more problems about  the pseudopotential. 
   (1) in the example about the generation of the pseudopotential for Al given by version 3.0. in the pseudo-gen part, the configuration is [Ne] 3s2 3p1 3d-1, while in the pseudo-test part, the configuration is [Ne] 3s2 3p1 3d0, why? "negtive number flags the unbound states" is given by the input_ld1. Is this negtive number  related to the local number?
  (2) The dft is selected as 3 which means the XC potential is PBE, but In the UPF files, there is a line wrie with "SLA PW PBX PBC    PBE exchang-correlation function". In fhi98, this line is read as  "SLA PW PBE PBE    PBE exchang-correlation function". what's the meaning fo  PBX PBC? I do some work about AgCl, the pseudopontential of  Ag is given by fhi98pp, whie for Cl , i generated the pseudopotential with pwscf.  But the scf.out said that DFT is inconsistent. So can I change  directly the PBX PBC to PBE PBE in Cl.UPF to achieve the consistent of  the DFT for Ag and Cl?
   
  thank you for any words about these two questions
   
  best ragards
   
    
   
   

		
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