<div dir="ltr">Away from a neutral surface the potential should become constant and therefore the efield = 0. Are you sure the efield is not there across the box but just very small away from the nuclei?<div><br></div><div>Matt<br><br>On Monday, November 12, 2018 at 12:26:29 PM UTC, ganta....@gmail.com wrote:<blockquote class="gmail_quote" style="margin: 0;margin-left: 0.8ex;border-left: 1px #ccc solid;padding-left: 1ex;"><div dir="ltr"><div>Dear CP2K team/ users,</div><div><br></div><div>I am using EFIELD option to calculate electric field due to a surface             <big><a href="https://manual.cp2k.org/cp2k-2_3-branch/CP2K_INPUT.html" target="_blank" rel="nofollow" onmousedown="this.href='https://www.google.com/url?q\x3dhttps%3A%2F%2Fmanual.cp2k.org%2Fcp2k-2_3-branch%2FCP2K_INPUT.html\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNFMvxfuW00vVEIV5ppqKwWAafveiw';return true;" onclick="this.href='https://www.google.com/url?q\x3dhttps%3A%2F%2Fmanual.cp2k.org%2Fcp2k-2_3-branch%2FCP2K_INPUT.html\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNFMvxfuW00vVEIV5ppqKwWAafveiw';return true;">CP2K_INPUT</a> /
               <a href="https://manual.cp2k.org/cp2k-2_3-branch/CP2K_INPUT/FORCE_EVAL.html" target="_blank" rel="nofollow" onmousedown="this.href='https://www.google.com/url?q\x3dhttps%3A%2F%2Fmanual.cp2k.org%2Fcp2k-2_3-branch%2FCP2K_INPUT%2FFORCE_EVAL.html\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNFyK161Ic-Rha68vVdVLvVhLPUwjA';return true;" onclick="this.href='https://www.google.com/url?q\x3dhttps%3A%2F%2Fmanual.cp2k.org%2Fcp2k-2_3-branch%2FCP2K_INPUT%2FFORCE_EVAL.html\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNFyK161Ic-Rha68vVdVLvVhLPUwjA';return true;">FORCE_EVAL</a> /
               <a href="https://manual.cp2k.org/cp2k-2_3-branch/CP2K_INPUT/FORCE_EVAL/DFT.html" target="_blank" rel="nofollow" onmousedown="this.href='https://www.google.com/url?q\x3dhttps%3A%2F%2Fmanual.cp2k.org%2Fcp2k-2_3-branch%2FCP2K_INPUT%2FFORCE_EVAL%2FDFT.html\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNFJdftM5ZrYYSit6F6AYlcCTDIDJQ';return true;" onclick="this.href='https://www.google.com/url?q\x3dhttps%3A%2F%2Fmanual.cp2k.org%2Fcp2k-2_3-branch%2FCP2K_INPUT%2FFORCE_EVAL%2FDFT.html\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNFJdftM5ZrYYSit6F6AYlcCTDIDJQ';return true;">DFT</a> /
               <a href="https://manual.cp2k.org/cp2k-2_3-branch/CP2K_INPUT/FORCE_EVAL/DFT/PRINT.html" target="_blank" rel="nofollow" onmousedown="this.href='https://www.google.com/url?q\x3dhttps%3A%2F%2Fmanual.cp2k.org%2Fcp2k-2_3-branch%2FCP2K_INPUT%2FFORCE_EVAL%2FDFT%2FPRINT.html\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNG_ukKVFnOSLxptcwYZZm5HP4r9eA';return true;" onclick="this.href='https://www.google.com/url?q\x3dhttps%3A%2F%2Fmanual.cp2k.org%2Fcp2k-2_3-branch%2FCP2K_INPUT%2FFORCE_EVAL%2FDFT%2FPRINT.html\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNG_ukKVFnOSLxptcwYZZm5HP4r9eA';return true;">PRINT</a> /
               <a href="https://manual.cp2k.org/cp2k-2_3-branch/CP2K_INPUT/FORCE_EVAL/DFT/PRINT/EFIELD_CUBE.html" target="_blank" rel="nofollow" onmousedown="this.href='https://www.google.com/url?q\x3dhttps%3A%2F%2Fmanual.cp2k.org%2Fcp2k-2_3-branch%2FCP2K_INPUT%2FFORCE_EVAL%2FDFT%2FPRINT%2FEFIELD_CUBE.html\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNErHGvk0yR_iaaofOf7ENxIHJ92og';return true;" onclick="this.href='https://www.google.com/url?q\x3dhttps%3A%2F%2Fmanual.cp2k.org%2Fcp2k-2_3-branch%2FCP2K_INPUT%2FFORCE_EVAL%2FDFT%2FPRINT%2FEFIELD_CUBE.html\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNErHGvk0yR_iaaofOf7ENxIHJ92og';return true;">EFIELD_CUBE</a>.</big></div><div><big><br></big></div><div><big>But the generated EFIELD is confined to the near surface of the atoms and is these any possibility to calculate resultant EFIELD data on the total system grid i,e ABC dimensions. <br></big></div><div><big><br></big></div><div><big>Please let me know.</big></div><div><big><br></big></div><div><big>Have a nice day.</big></div><div><big><br></big></div><div><big>Thanks and Regards,</big></div><div><big>Prasanth. <br></big></div></div></blockquote></div></div>