[Pw_forum] no interaction in my 2-D charge density contour
chengyu yang
chengyu.young at gmail.com
Thu Jun 24 19:51:16 CEST 2010
Dear Paolo,
Thanks for your answer. However, I still cannot quite understand
it. In my script I defined the plane as (001), which is ,
e1(1) =1.0, e1(2)=0.0, e1(3) = 0.0;
e2(1) =0.0, e2(2)=1.0, e2(3) = 0.0;
I didn't define x(i). In my scf file, the unit cell is just like quarter, is
that the reason for my quarter like charge density contour?
Thanks for your patience.
Chengyu Yang
UCF PhD student.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20100624/7e9bc794/attachment.html>
More information about the users
mailing list