<div dir="ltr"><div class="gmail_default" style="font-family:arial black,sans-serif"><br></div><div class="gmail_extra"><br><div class="gmail_quote">On Tue, Aug 25, 2015 at 10:33 AM, Ozan Dernek <span dir="ltr"><<a href="mailto:ozandernek@gmail.com" target="_blank">ozandernek@gmail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">Hi,<br>
I want to display the difference of charge densities of a bimetallic structure by using VMD.<br></blockquote><div><br></div><div><div class="gmail_default" style="font-family:'arial black',sans-serif">this appears to be a VMD question and thus would be off-topic here, but should be posted to the VMD mailing list.</div></div><div> </div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
But the .cube file has only the charge density information. Is it possible to obtain charge density difference by using weight flag or should I do separate calculations ? (For both cases an explanation about how to do them will be much appreciated.)<br></blockquote><div><br></div><div><div class="gmail_default" style="font-family:'arial black',sans-serif">how can you compute a density difference, if you have only a density?</div><div class="gmail_default" style="font-family:'arial black',sans-serif">what weight flag where and how would it be applied?</div><div class="gmail_default" style="font-family:'arial black',sans-serif"><br></div><div class="gmail_default" style="font-family:'arial black',sans-serif">it is difficult to explain something, if you provide incomplete information.</div><div class="gmail_default" style="font-family:'arial black',sans-serif"><br></div><div class="gmail_default" style="font-family:'arial black',sans-serif">axel.<br></div></div><div><br></div><div><div class="gmail_default" style="font-family:'arial black',sans-serif">p.s.: you already tried your luck elsewhere and there is a pattern that you don't describe your problems very well, which hints at a lack of fundamental understanding. you are thus strongly advised to discuss this with your PI/adviser/supervisor or (senior) colleagues. mailing lists can provide advice to solve technical problems, but it is required that you can formulate your problem well. if not, it will be difficult to give meaningful advice, as any technically focused advice will likely exceed your understanding.</div><br></div><div> </div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<br>
Cheers,<br>
Ozan<br>
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</blockquote></div><br><br clear="all"><div><br></div>-- <br><div class="gmail_signature">Dr. Axel Kohlmeyer <a href="mailto:akohlmey@gmail.com" target="_blank">akohlmey@gmail.com</a> <a href="http://goo.gl/1wk0" target="_blank">http://goo.gl/1wk0</a><br>College of Science & Technology, Temple University, Philadelphia PA, USA<br>International Centre for Theoretical Physics, Trieste. Italy.</div>
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