<br><div>Dear all,</div><div>I have generated the cube files of hartree potential (<span><a href="https://manual.cp2k.org/cp2k-8_1-branch/CP2K_INPUT.html">CP2K_INPUT</a> /
               <a href="https://manual.cp2k.org/cp2k-8_1-branch/CP2K_INPUT/FORCE_EVAL.html">FORCE_EVAL</a> /
               <a href="https://manual.cp2k.org/cp2k-8_1-branch/CP2K_INPUT/FORCE_EVAL/DFT.html">DFT</a> /
               <a href="https://manual.cp2k.org/cp2k-8_1-branch/CP2K_INPUT/FORCE_EVAL/DFT/PRINT.html">PRINT</a> /
               <a href="https://manual.cp2k.org/cp2k-8_1-branch/CP2K_INPUT/FORCE_EVAL/DFT/PRINT/V_HARTREE_CUBE.html">V_HARTREE_CUBE</a></span>) and electric field (<span><a href="https://manual.cp2k.org/cp2k-8_1-branch/CP2K_INPUT.html">CP2K_INPUT</a> /
               <a href="https://manual.cp2k.org/cp2k-8_1-branch/CP2K_INPUT/FORCE_EVAL.html">FORCE_EVAL</a> /
               <a href="https://manual.cp2k.org/cp2k-8_1-branch/CP2K_INPUT/FORCE_EVAL/DFT.html">DFT</a> /
               <a href="https://manual.cp2k.org/cp2k-8_1-branch/CP2K_INPUT/FORCE_EVAL/DFT/PRINT.html">PRINT</a> /
               <a href="https://manual.cp2k.org/cp2k-8_1-branch/CP2K_INPUT/FORCE_EVAL/DFT/PRINT/EFIELD_CUBE.html">EFIELD_CUBE</a></span>) from cp2k. I don't see an explicit description on the units that are used in these cube files. If I take the a.u. as the default unit (hartree/e for potential, and hartree/e/bohr for electric field), the value seems pretty large. For example, I study the single water molecule system. The largest electric field at some density grid is 10~15 hartree/e/bohr, that is, ~50000 MV/cm. Please correct me if I am wrong, but the value seems unreasonable to me.</div><div>Any suggestion will be welcome, thanks in advance.</div><div>Best,</div><div>Kai<br></div>