Dear All:<br> <br> While calculating electrostatic potential in cp2k using '<big class="uctt"><a href="http://cp2k.berlios.de/manual/CP2K_INPUT/FORCE_EVAL/DFT/PRINT/V_HARTREE_CUBE.html">V_HARTREE_CUBE</a>' key word, is the potential written in the corresponding .cube file as<br>
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.<br>Looking forward to your clarification in this respect.<br>
Thanks in advance,<br>Regards,<br>Malay Kumar Rana<br>University of Sassari<br>Italy- 07100 <br></big>