User contributions for Doris
10 February 2011
- 15:3615:36, 10 February 2011 diff hist +335 N KBLOCK Created page with '{{TAGDEF|KBLOCK|[integer]|{{TAG|NSW}}}} Description: After {{TAG|KBLOCK}}*{{TAG|NBLOCK}} main loops the averaged pair correlation function and DOS are written to the files {{TAG…'
- 15:3415:34, 10 February 2011 diff hist +672 N NBLOCK Created page with '{{TAGDEF|NBLOCK|[integer]|1}} Description: after {{TAG|NBLOCK}} ionic steps the pair correlation function and the DOS are calculated and the ionic configuration will be written…'
- 15:2315:23, 10 February 2011 diff hist +420 N Talk:RWIGS Created page with 'I suggest to summarize a few issues in the 'local quantities' category, like -- local DOS -- partial charges, charge transfer, ionicities -- local magnetic moments .. these quest…' current
- 15:0215:02, 10 February 2011 diff hist +2,520 N RWIGS Created page with '{{TAGDEF|RWIGS|[real array]|read from the {{TAG|POTCAR}} file}} Description: {{TAG|RWIGS}} specifies the Wigner-Seitz radius for each atom type. ---- *{{TAG|RWIGS}} ''has'' to b…'
- 14:1414:14, 10 February 2011 diff hist +3,052 N MAGMOM Created page with '{{TAGDEF|MAGMOM|[real array]}} {{DEF|MAGMOM|NIONS * 1.0|for {{TAG|ISPIN}}{{=}}2|3 * NIONS * 1.0 |for non-collinear magnetic systems ({{TAG|LNONCOLLINEAR}}{{=}}.T.)}} Description…'
20 April 2010
- 13:4013:40, 20 April 2010 diff hist −36 ICHARG No edit summary
- 13:3913:39, 20 April 2010 diff hist +36 ICHARG No edit summary
- 13:3113:31, 20 April 2010 diff hist −6 PREC No edit summary