<div dir="ltr">Hi,<div><br></div><div>If you want to extract the total charge density, you can add the section TOT_DENSITY_CUBE in FORCE_EVAL / DFT / PRINT. [1]</div><div>Once the calculation is done (single-point energy is enough), you will get a .cube file, which you can visualize. Or you can use the program cubecruncher in the cp2k/tools/... directory to calculate things such as density-differences, etc. </div>

<div><br></div><div>If, in fact, you were asking for something else, please provide more details about what you would like to calculate.</div><div><br></div><div>Best,</div><div>Ralph<br><div class="gmail_extra"><br></div>

<div class="gmail_extra">[1] <a href="http://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/DFT/PRINT.html">http://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/DFT/PRINT.html</a> <br><br><div class="gmail_quote">On Wed, Jul 16, 2014 at 2:51 PM, celio angel <span dir="ltr"><<a href="mailto:adil.e...@gmail.com" target="_blank">adil.e...@gmail.com</a>></span> wrote:<br>

<blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left-width:1px;border-left-color:rgb(204,204,204);border-left-style:solid;padding-left:1ex"><div dir="ltr"> <span lang="en"><span>Dear all users CP2K</span><span>, I</span> <span>want to calculate</span> <span>the</span> <span>density</span> <span>of</span> <span>charge.how to insrt in input file<br>

  greeting<span class=""><font color="#888888"><br></font></span></span></span></div><span class=""><font color="#888888">

<p></p>

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