<br><br><div class="gmail_quote">On Thu, Nov 19, 2009 at 9:59 PM, Davide Ceresoli <span dir="ltr"><<a href="mailto:ceresoli@mit.edu">ceresoli@mit.edu</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;">
<br></blockquote><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;"><div class="im">
</div>The problem could be that xcrysden cannot handle such an<br>
amount of "atoms". In fact, on my machine, gengeom crashed<br>
with a "segmentation violation" error.<br>
<div><div class="h5"><br></div></div></blockquote><div><br></div><div>I have looked at Tone's examples and found one vector_field.xsf. It is for N_2H_4CO and some arrows, but *.xsf is:<br>------<br>ATOMS<br> 6 0.0000000000 0.0000000000 0.0000000000<br>
8 0.0000000000 0.0000000000 1.2614009982<br> 7 0.0000000000 1.1482466623 -0.6997899990<br> 7 0.0000000000 -1.1482466623 -0.6997899990<br> 1 0.0000000000 2.0265496485 -0.2028169999<br>
1 0.0000000000 -2.0265496485 -0.2028169999<br> 1 0.0000000000 1.1340804828 -1.7049749982<br> 1 0.0000000000 -1.1340804828 -1.7049749982<br> X 2.000 0.000 2.000 0.010 0.000 0.000<br>
X 1.902 0.618 2.000 0.010 0.003 0.000<br>...<br>------<br><br>I edited FigFillcurr.xsf_UP_X.xsf for the GIPAW CH4 example, deleted first 7 lines and put "ATOMS" as the first line. Now my XCrySDen opens this file, but it looks funny and definitely it takes a lot of memory. I am not able to rotate it on my home PC Cygwin. Tone's example is "is merely an "artistic" example". I wanted to get something similar to figures in Chapter 4 of Jonathan Yates's thesis. My cluster has 18 atoms. Will try tomorrow to decrease size of arrows, or something similar.<br>
<br>Best regards,<br>Goranka Bilalbegovic<br>Department of Physics, <br> </div><div> <br>
</div></div><br>