[Pw_forum] general external potential

[Aihua Zhang]

Dear PWscf users,

I am thinking about adding a general periodic local potential to my system.
I noted that for the specific sawlike potential (tefield), the total energy
correction (etotefield) and the force correction (forcefield) are needed in
pwscf code. I wonder how to generalize these two terms for a general local
potential? Could anyone give me a clue? Thank you!

Best regards

Zhang

-- 
------------------------------------------------------------------
Research Fellow,
Dept. of Physics, National Univ. of Singapore
10 Kent Ridge Crescent, Singapore, 119260
Tel: +65 6516 7844
------------------------------------------------------------------
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20090417/1b013146/attachment.html>