Hi. before calculating anything, I think it is important to define and understand what one is going to calculate. Would you please give us a definition of "work function under an external field" and compare/ contrast it to the accepted definition of "workfunction at zero field"? Thanks - SB
On Sep 16, 2009, at 3:53 AM, ??? wrote: > Dear pwscf users, > The PWscf can calculate the workfunction in slab model and > the electronic structure under external efield. I am concerning > that whether it it correct to calculate the workfunction of a > certain materials under external efield? Thank you in advance. > > -- > Y. C. Cheng > Department of Physics > Nanjing University > Nanjing 210093 > P. R. China > Tel: 86-25-83592907 > Email: yccheng.nju at gmail.com > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum --- Stefano Baroni - SISSA & DEMOCRITOS National Simulation Center - Trieste http://stefano.baroni.me [+39] 040 3787 406 (tel) -528 (fax) / stefanobaroni (skype) La morale est une logique de l'action comme la logique est une morale de la pens?e - Jean Piaget Please, if possible, don't send me MS Word or PowerPoint attachments Why? See: http://www.gnu.org/philosophy/no-word-attachments.html -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090916/0e391337/attachment.htm
