<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; overflow-wrap: break-word;" class="prettyprint"><code class="prettyprint"><div class="subprettyprint"><span style="color: #660;" class="styled-by-prettify">./</span><span style="color: #000;" class="styled-by-prettify">cubecruncher </span><span style="color: #660;" class="styled-by-prettify">-</span><span style="color: #000;" class="styled-by-prettify">multiply </span><span style="color: #660;" class="styled-by-prettify">-</span><span style="color: #066;" class="styled-by-prettify">1</span><span style="color: #000;" class="styled-by-prettify"> </span><span style="color: #660;" class="styled-by-prettify">-</span><span style="color: #000;" class="styled-by-prettify">i foo1</span><span style="color: #660;" class="styled-by-prettify">.</span><span style="color: #000;" class="styled-by-prettify">cube </span><span style="color: #660;" class="styled-by-prettify">-</span><span style="color: #000;" class="styled-by-prettify">o mfoo1</span><span style="color: #660;" class="styled-by-prettify">.</span><span style="color: #000;" class="styled-by-prettify">cube<br></span><span style="color: #660;" class="styled-by-prettify">./</span><span style="color: #000;" class="styled-by-prettify">cubecruncher </span><span style="color: #660;" class="styled-by-prettify">-</span><span style="color: #000;" class="styled-by-prettify">subtract mfoo1</span><span style="color: #660;" class="styled-by-prettify">.</span><span style="color: #000;" class="styled-by-prettify">cube </span><span style="color: #660;" class="styled-by-prettify">-</span><span style="color: #000;" class="styled-by-prettify">i foo2</span><span style="color: #660;" class="styled-by-prettify">.</span><span style="color: #000;" class="styled-by-prettify">cube </span><span style="color: #660;" class="styled-by-prettify">-</span><span style="color: #000;" class="styled-by-prettify">o sumfoo12</span><span style="color: #660;" class="styled-by-prettify">.</span><span style="color: #000;" class="styled-by-prettify">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 href="javascript:" target="_blank" gdf-obfuscated-mailto="wMH8JZnCEAAJ" rel="nofollow" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">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>
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