<div dir="ltr">Thanks, Travis! Multiplication by -1 works and so the idea! :)<div><br></div><div>Thanks a lot!</div><div>Somil<br><br>On Wednesday, August 28, 2019 at 10:23:24 PM UTC+5:30, Travis wrote:<blockquote class="gmail_quote" style="margin: 0;margin-left: 0.8ex;border-left: 1px #ccc solid;padding-left: 1ex;"><div dir="ltr"><div>Hi,</div><div><br></div><div>Assuming cubecruncher is fine with negative numbers try,</div><div><br></div><div style="background-color:rgb(250,250,250);border-color:rgb(187,187,187);border-style:solid;border-width:1px"><code><div><span style="color:#660">./</span><span style="color:#000">cubecruncher </span><span style="color:#660">-</span><span style="color:#000">multiply </span><span style="color:#660">-</span><span style="color:#066">1</span><span style="color:#000"> </span><span style="color:#660">-</span><span style="color:#000">i foo1</span><span style="color:#660">.</span><span style="color:#000">cube </span><span style="color:#660">-</span><span style="color:#000">o mfoo1</span><span style="color:#660">.</span><span style="color:#000">cube<br></span><span style="color:#660">./</span><span style="color:#000">cubecruncher </span><span style="color:#660">-</span><span style="color:#000">subtract mfoo1</span><span style="color:#660">.</span><span style="color:#000">cube </span><span style="color:#660">-</span><span style="color:#000">i foo2</span><span style="color:#660">.</span><span style="color:#000">cube </span><span style="color:#660">-</span><span style="color:#000">o sumfoo12</span><span style="color:#660">.</span><span style="color:#000">cube</span></div></code></div><div></div><div></div><div><br></div><div>-T<br></div><div><br></div>On Wednesday, August 28, 2019 at 1:38:43 PM UTC-3, Somil Gupta wrote:<blockquote class="gmail_quote" style="margin:0;margin-left:0.8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="auto"><div>Thanks, Matt!<div dir="auto"> </div><div dir="auto">Cubecruncher allows subtraction but no no addition <span style="font-family:sans-serif">unfortunately. </span>I will look up for the python scripts that you mentioned.</div><div dir="auto">Also, the system I have there is no band gap.</div><div dir="auto"><br></div><div dir="auto">Appreciate your help!</div><div dir="auto">Somil </div><br><br><div class="gmail_quote"><div dir="ltr">On Wed, 28 Aug 2019, 21:00 Matt W, <<a rel="nofollow">mat...@gmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr">You can use cubecruncher utility, I think. There are other solutions (mainly python script) around to that are also recommended.<br><br>The STM keyword in the print section will allow you to calculate total charge density from the band gap up to or down to an energy range.<div><br></div><div>Matt<br><br>On Wednesday, August 28, 2019 at 2:37:01 PM UTC+1, Somil Gupta wrote:<blockquote class="gmail_quote" style="margin:0;margin-left:0.8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr">Hi all,<div><br></div><div>Could you please tell me if it is possible to merge .cube files for different MO's?</div><div><br></div><div>The actual task is to obtain the entire charge density within a given energy range.</div><div><br></div><div>Thank you</div><div>Somil</div></div></blockquote></div></div> <p></p> -- <br> You received this message because you are subscribed to a topic in the Google Groups "cp2k" group.<br> To unsubscribe from this topic, visit <a href="https://groups.google.com/d/topic/cp2k/cKkifjYeDWQ/unsubscribe" rel="nofollow" target="_blank" onmousedown="this.href='https://groups.google.com/d/topic/cp2k/cKkifjYeDWQ/unsubscribe';return true;" onclick="this.href='https://groups.google.com/d/topic/cp2k/cKkifjYeDWQ/unsubscribe';return true;">https://groups.google.com/d/<wbr>topic/cp2k/cKkifjYeDWQ/<wbr>unsubscribe</a>.<br> To unsubscribe from this group and all its topics, send an email to <a rel="nofollow">c...@googlegroups.com</a>.<br> To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/958d547f-b2f4-4b64-9662-852e774d30b8%40googlegroups.com?utm_medium=email&utm_source=footer" rel="nofollow" target="_blank" onmousedown="this.href='https://groups.google.com/d/msgid/cp2k/958d547f-b2f4-4b64-9662-852e774d30b8%40googlegroups.com?utm_medium\x3demail\x26utm_source\x3dfooter';return true;" onclick="this.href='https://groups.google.com/d/msgid/cp2k/958d547f-b2f4-4b64-9662-852e774d30b8%40googlegroups.com?utm_medium\x3demail\x26utm_source\x3dfooter';return true;">https://groups.google.com/d/<wbr>msgid/cp2k/958d547f-b2f4-4b64-<wbr>9662-852e774d30b8%<wbr>40googlegroups.com</a>.<br> </blockquote></div></div></div> </blockquote></div></blockquote></div></div>