Dear Joshi,
>Thanks a lot for your reply.
>The work function value that I get without the dipole correction is 4.9 eV
>and the with dipole correction I get 5 eV and 4.8 eV if I take lower and
>higher potential value
>in the vacuum region.
>And I couldn't follow what you meant by 'without mixing_mode'.
>Won't the code take the default mixing_mode?
yes, but the default is different from what have you used!
>And how does it help in this case?
-------------- next part --------------
An HTML attachment was scrubbed...
URL:
http://pwscf.org/pipermail/pw_forum/attachments/20130415/5c2b14d8/attachment.html