[Pw_forum] dipole correction-dipole field keep constant during optimization
wangfenggong at gmail.com
Mon Oct 8 18:34:39 CEST 2012
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.
Dr. Fenggong Wang
Department of Chemistry
University of Pennsylvania
231 South 34th Street, BOX 314
Philadelphia, PA 19104-6323
e-mail: wangfenggong at gmail.com; fenggong at sas.upenn.edu
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