[Pw_forum] nelec problem

[Vladlen Zhukov Windows]

Dear all,  

    This   message is  an addition  to my previous one.  I try  to make
calculations for semiconductor  with  one electron  in the  conductivity
band.  I supposed  that is was possible by setting  NELEC  in  SYSTEM  equal  to the number  of electrons in  neutral cell  plus one.  The extra  charge,  as  it follows from the manual, has  to be compensated  by positive backgrounds. But it does not work!  The answer of the code is 'charge is  wrong'.  Why?  Is it still not implemented?

Vladlen P. Zhukov,  chief research associate,
Institute of Solid State Chemistry,
Russian  Academy of Sciences,
Ekaterinburg,
Russia         
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