LNICSALL: Difference between revisions
No edit summary |
No edit summary |
||
| Line 5: | Line 5: | ||
Description: {{TAG|LNICSALL}}=.TRUE. ensures that the FFT grid {{TAG|NGX}} x {{TAG|NGY}} x {{TAG|NGZ}} is used to calculated the NICS. These chemical shieldings will | Description: {{TAG|LNICSALL}}=.TRUE. ensures that the FFT grid {{TAG|NGX}} x {{TAG|NGY}} x {{TAG|NGZ}} is used to calculated the NICS. These chemical shieldings will | ||
be printed to {{FILE|NICS}}. | be printed to {{FILE|NICS}}. | ||
{NB|mind|If {{TAGO|LNICSALL|True}} is set, and {{FILE|POSNICS}} is also present, {{TAG|LNICSALL}} will take precedent.}} | {{NB|mind|If {{TAGO|LNICSALL|True}} is set, and {{FILE|POSNICS}} is also present, {{TAG|LNICSALL}} will take precedent.}} | ||
== Related tags and articles == | == Related tags and articles == | ||
Revision as of 17:18, 12 March 2025
Warning: Not yet released!
This page contains information about a feature that will be available in a future release of VASP. In other words, currently you cannot use it even with the latest version of VASP. The information may change significantly until it is released.
LNICSALL = .TRUE. | .FALSE.
Default: LNICSALL = .FALSE.
Description: LNICSALL=.TRUE. ensures that the FFT grid NGX x NGY x NGZ is used to calculated the NICS. These chemical shieldings will be printed to NICS.
Mind: If LNICSALL = True is set, and POSNICS is also present, LNICSALL will take precedent.
|
Related tags and articles
LCHIMAG, NUCIND, NICS, LNICSALL