[Pw_forum] Re: about Pwscf, from shandong university,China

[胡树军]

Dear Dr,

The pseudopotential file gives folowing information in the block of <PP_HEADER>:

 SLA  PW   PBE  PBE    PBE  Exchange-Correlation functional
    4.00000000000      Z valence
  -10.71556050100      Total energy

And the samiliar information appears in the output file of pw calculation.What is
mean by "Total energy" above? Just including the valence electrons? And how can i
get the "real" totle energy from the output file?

Best wishes

                               Shujun Hu