<div dir="ltr"><div>Dear Dr. Matt Watkins,</div><div><br></div><div>Thanks for the links and suggestions. I will try go through them.</div><div><br></div><div>Have a nice day.</div><div><br></div><div>Regards,</div><div>Prasanth. <br></div><br>On Tuesday, November 13, 2018 at 4:15:25 PM UTC+1, Matt W wrote:<blockquote class="gmail_quote" style="margin: 0;margin-left: 0.8ex;border-left: 1px #ccc solid;padding-left: 1ex;"><div dir="ltr">There are some old scripts and ideas from Axel Kohlmeyer for visualizing vector fields in VMD<div><br></div><div><a href="https://www.ks.uiuc.edu/Research/vmd/mailing_list/vmd-l/11214.html" target="_blank" rel="nofollow" onmousedown="this.href='https://www.google.com/url?q\x3dhttps%3A%2F%2Fwww.ks.uiuc.edu%2FResearch%2Fvmd%2Fmailing_list%2Fvmd-l%2F11214.html\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNHt-C5ecYspvLQgxns4FQvTb8ioTg';return true;" onclick="this.href='https://www.google.com/url?q\x3dhttps%3A%2F%2Fwww.ks.uiuc.edu%2FResearch%2Fvmd%2Fmailing_list%2Fvmd-l%2F11214.html\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNHt-C5ecYspvLQgxns4FQvTb8ioTg';return true;">https://www.ks.uiuc.edu/<wbr>Research/vmd/mailing_list/vmd-<wbr>l/11214.html</a></div><div><br></div><div>and follow the trail of broken links.</div><div><br></div><div>It will require a bit of scripting and data wrangling though.</div><div><br></div><div>Matt<br><br>On Tuesday, November 13, 2018 at 9:09:03 AM UTC, Vladimir Rybkin wrote:<blockquote class="gmail_quote" style="margin:0;margin-left:0.8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr">Dear Prasanth,<div><br></div><div>you can load three cubes to VMD simulataneously and use different representations.</div><div><br></div><div>Yours,</div><div><br></div><div>Vladimir<br><br>понедельник, 12 ноября 2018 г., 15:38:20 UTC+1 пользователь <a>ganta....@gmail.com</a> написал:<blockquote class="gmail_quote" style="margin:0;margin-left:0.8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr"><div>Dear Dr. Matt Watkins,</div><div><br></div><div>You are right, EFIELD data is available for complete ABC box, when I use ISOSURFACE and play with thresholds in VMD I could see the EFIELD in complete box (ABC). But when I use SURF option I  see field only near the surface. <br></div><br><div>When I use EFIELD option in print I get three cube files in x, y, z. </div><div><br></div><div>Is there any possibility that I can merge the EFIELD cubes of x y z and get a resultant EFIELD cube?  Actually I wanted to see a resultant EFIELD due a surface. <br></div><div><br></div><div>Thank you,</div><div><br></div><div>Have a nice day.<br></div><br>On Monday, November 12, 2018 at 3:17:28 PM UTC+1, Matt W wrote:<blockquote class="gmail_quote" style="margin:0;margin-left:0.8ex;border-left:1px #ccc solid;padding-left:1ex"><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, <a>ganta....@gmail.com</a> 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" rel="nofollow" target="_blank" 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" rel="nofollow" target="_blank" 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" rel="nofollow" target="_blank" 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" rel="nofollow" target="_blank" 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" rel="nofollow" target="_blank" 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></blockquote></div></blockquote></div></div></blockquote></div></div></blockquote></div>