[Pw_forum] E-field: please any response!
Jaret Qi
jaretqi at yahoo.com
Mon Feb 1 23:31:57 CET 2016
Thank you Giuseppe and Paolo for your reply, now:> I do not know why you are using the sawtooth potential,
because I need to study the behaviour of my system under the influence of E-field, as I know there are 2 kinds of E-field in qe; saw-like and homogeneous fields. since I have no idea about the homogeneous one I used the saw-like.> the assume_isolated='esm'so when I use this opetion, do I need to keep the saw-like field or what? because in my case I need to use this:'bc1': vacuum-slab-vacuum (open boundary conditions). then how to apply the e-field?>By the way: in the provided input, eamp=0 implies "no electric field"
Yes, Giovanni on qe archive said when you use eamp=0 then you only have dipole correction, once I got th dipole correction I can go from there and apply e-fields.see this:On Mon, Sep 7, 2015 at 4:28 PM, Giovanni Cantele <
giovanni.cantele at spin.cnr.it> wrote:
> eamp=0 if only the dipole correction is needed (dipfield=.true.), because
> in this case the amplitude of the correction is self consistently computed
> from the charge density. eamp is needed only if you need to add and
> external electric field.
> Giovanni
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