Dear Pooja,
setting tefield=.true. disables all symmetries. Have a look at
PW/src/input.f90, line 455 (version 5.1).
I think that you can also disable this, however, you have to be careful
that the code does not use any
symmetry which includes the z axis (or your efield direction).
Cheerio
Thomas
On 11/19/2014 09:59 AM, Pooja Dhorge wrote:
Dear all,
We are doing surface calculations using dipole correction.
The system under consideration is Cu(111) plane and we have considered
4 atomic layers. I am attaching the input files with this mail.
I have noticed that, for 3x3x1 unshifted k-point mesh, I get 3
k-points with no dipole correction and 5 k-points with dipole correction.
I am unable to understand how dipole flag changes the number of
k-points. Could you please shade some light on this?
Thanks,
Pooja
Project Assistant,
Physical and Materials Chemistry Division,
CSIR-National Chemical Laboratory,
Pune, India.
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--
Dr. rer. nat. Thomas Brumme
Institut de Minéralogie, de Physique des Matériaux, et de Cosmochimie
Sorbonne Universités - UPMC Univ Paris 06
4 Place Jussieu
75005 Paris
Tel: +33 (0) 1 442 77204
email: [email protected]
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