[Pw_forum] Re: Pw_forum digest, Vol 1 #1296 - 13 msgs

[Amit Kumar]

   Respected Users,

   Wishing you all a happy new year first.
   I have two questions regarding pwscf input.

   Let us assume I have a surface unit cell of 1 Angstrom with one valence
electron.
   So the electron density  is order of 10^16 per cm^2. Right???
   Now if I want to add extra 10^13 electrons in the system then
   is the 'nelec'' correct input flag???
   I know "nelec" can be non integer in pwscf but my little confusion
   whether  the value nelec = 1.0001 is valid one like nelec=1 or 2 ????
   Is there any other way to add extra surface electron in the 2D system in
pwscf???

  Another question is when I use Example No. 7 of pwscf package with the
flag filelph = "al.elph"
  switch on,  I'm not getting any al.elph file where all the el-ph matrix
elements  are supposed to
  written.

  Looking forward to your useful comments..

  Regards,
  Amit
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20070106/4c0608f4/attachment.html>