Dear Fenggong, I assume you are computing properties for a 2D system such as a slab, or 0D such as molecule-in-a-box.
You can use variables in input (Doc/INPUT_PW): tefield (necessary in any case below) dipfield for a scf correction (which is determined by density) eamp /= 0 to add a constant value added. I you want to dig into the code, PW/src/add_efield.f90 is the routine of your interest. Hope this helps, Guido On 10/08/2012 06:34 PM, Fenggong Wang wrote: > Dear Everyone, > I am relatively new to Quantum Espresso. > Could we keep the dipole field at a constant value during the > scf interations or constaint it to be in a value range when adding the > dipole correction in pwscf? Which part of the code should we refer to > for this? Any guidance or comments on this? > Thank you very much. > Fenggong > > -- > Dr. Fenggong Wang > Postdoctoral Researcher > > Department of Chemistry > University of Pennsylvania > 231 South 34th Street, BOX 314 > Philadelphia, PA 19104-6323 > e-mail: wangfenggong at gmail.com <mailto:wangfenggong at gmail.com>; > fenggong at sas.upenn.edu <mailto:fenggong at sas.upenn.edu> > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum > -- Guido Fratesi Dipartimento di Scienza dei Materiali Universita` degli Studi di Milano-Bicocca via Cozzi 53, 20125 Milano, Italy
