[Wien] A question about charged cells

[军 易]

Dir sir,
     I have constructed a supercell 2*2*1 using W2web to calculate the electronic structures of lead tungstate(PWO) crystal and put Pb vacancy in the cell.  I  run init_lapw by using w2web. The Pb vacancy exhibit divalent negative electricity, so I remove two electron to get the desired charged state in case.in2 and Edit case.inm: BROYD -2.0   YES. After  a standard initialization (init_lapw), I run SCF to  calculate the electronic structures of lead tungstate(PWO) crystal.
  Are the above steps right to charged cells?   



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