EPSILON: Difference between revisions
Vaspmaster (talk | contribs) No edit summary |
Vaspmaster (talk | contribs) No edit summary |
||
| Line 6: | Line 6: | ||
== Related Tags and Sections == | == Related Tags and Sections == | ||
{{TAG|Monopole Dipole and Quadrupole corrections}} | {{TAG|Monopole Dipole and Quadrupole corrections}}, | ||
{{TAG|NELECT}}, | {{TAG|NELECT}}, | ||
{{TAG|DIPOL}}, | {{TAG|DIPOL}}, | ||
Revision as of 17:06, 10 March 2013
EPSILON = [real]
Default: EPSILON = 1
Description: EPSILON sets the dielectric constant of the medium.
VASP uses this flag only to scale the calculated monopole and dipole corrections. EPSILON defaults to 1, which is the proper value for isolated atoms and molcules. For solids, the screening properties can and should be determined using the linear response routines of VASP (see LEPSILON and/or LCALCEPS). Ionic contributions to the dielectric tensor should be included, if the ions are allowed to relax. Ionic contributions to the dielectric tensor can be calculated using IBRION=8.
Related Tags and Sections
Monopole Dipole and Quadrupole corrections, NELECT, DIPOL, IDIPOL, LDIPOL, LMONO, EFIELD