LOCPROJ: Difference between revisions

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Description: by means of the {{TAG|LOCPROJ}}-tag one may specify a (set of) local function(s) on which the orbitals are to be projected. These projections are written to the {{FILE|PROJCAR}}, {{FILE|LOCPROJ}}, and {{FILE|vasprun.xml}} files.
Description: by means of the {{TAG|LOCPROJ}}-tag one may specify a (set of) local function(s) on which the orbitals are to be projected. These projections are written to the {{FILE|PROJCAR}}, {{FILE|LOCPROJ}}, and {{FILE|vasprun.xml}} files.
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A valid {{TAG|LOCPROJ}} specification consists of three parts separated by colons (":"), above denoted as ''<sites>'', ''<functions-Ylm-specs>'', and ''<functions-radial-specs>''. These parts define the sites on which the local functions are centered, specify their angular character, and their radial behaviour, respectively.


* '''<sites>'''
* '''<sites>'''

Revision as of 16:16, 10 January 2017

LOCPROJ = <sites> : <functions-Ylm-specs> : <functions-radial-specs>
Default: LOCPROJ = None 

Description: by means of the LOCPROJ-tag one may specify a (set of) local function(s) on which the orbitals are to be projected. These projections are written to the PROJCAR, LOCPROJ, and vasprun.xml files.


A valid LOCPROJ specification consists of three parts separated by colons (":"), above denoted as <sites>, <functions-Ylm-specs>, and <functions-radial-specs>. These parts define the sites on which the local functions are centered, specify their angular character, and their radial behaviour, respectively.

  • <sites>
  • <functions-Ylm-specs>
  • <functions-radial-specs>

The LOCPROJ file

Related Tags and Sections

LORBIT