<div dir="ltr"><big>The calculated potential should be </big><big> the negative of the electrostatic potential, which makes sense.</big> On Thursday, September 23, 2010 10:13:03 PM UTC+8, malay rana wrote:<blockquote class="gmail_quote" style="margin: 0;margin-left: 0.8ex;border-left: 1px #ccc solid;padding-left: 1ex;">Dear All: While calculating electrostatic potential in cp2k using '<big><a href="http://cp2k.berlios.de/manual/CP2K_INPUT/FORCE_EVAL/DFT/PRINT/V_HARTREE_CUBE.html" target="_blank">V_HARTREE_CUBE</a>' key word, is the potential written in the corresponding .cube file as it is calculated or it is the negative of the calculated potential? I am confused with the exact sign of the potential for post processing of corresponding .cube file. Looking forward to your clarification in this respect. Thanks in advance, Regards, Malay Kumar Rana University of Sassari Italy- 07100 </big> </blockquote></div>