Dear all, <br>I am attempting to figure out how to print out a bands graph of my AFM hematite. <br>Then I prepared the file <a href="http://band.in/" target="_blank">band.in</a> as explained in /Doc/INPUT_Band<br>and I attached it down here <br>
&INPUTPP<br>prefix='band_BLYP',<br>outdir='/home/pc229/backup/<div id=":jt" class="ii gt">Counts/PWscf/Fe2O3_bulk/PWSCF/Fe2O3_bulk/opt_bulk_BLYP/',<br>filband='band_BLYP.out',<br>/<br><br>if try to run it using bands.x I will get in my output file the following error:<br>
Program POST-PROC v.4.0.4 starts ...<br> Today is 23Mar2009 at 18:56:50<br><br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br> from bands : error # 1<br> The bands code with constrained magnetization has not been tested<br>
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br><br> stopping ...<br><br clear="all">So, what I am suppose to do ? How can I print my bands?? <br>Thank you, Piero <br><font color="#888888"><br>
-- <br>Pieremanuele Canepa<br>
Room 230<br>School of Physical Sciences, Ingram Building, <br>University of Kent, Canterbury, Kent, <br>CT2 7NH<br>United Kingdom<br>--------------------------------------------------------</font></div>