<ul style="font-size: 16px; box-sizing: border-box; margin: 0px; padding: 0px; list-style: none; caret-color: rgb(64, 64, 64); color: rgb(64, 64, 64); font-family: Lato, proxima-nova, "Helvetica Neue", Arial, sans-serif;">Hi .....</ul><ul style="font-size: 16px; box-sizing: border-box; margin: 0px; padding: 0px; list-style: none; caret-color: rgb(64, 64, 64); color: rgb(64, 64, 64); font-family: Lato, proxima-nova, "Helvetica Neue", Arial, sans-serif;">For DFT: </ul><ul style="font-size: 16px; box-sizing: border-box; margin: 0px; padding: 0px; list-style: none; caret-color: rgb(64, 64, 64); color: rgb(64, 64, 64); font-family: Lato, proxima-nova, "Helvetica Neue", Arial, sans-serif;"><br /></ul><ul style="font-size: 16px; box-sizing: border-box; margin: 0px; padding: 0px; list-style: none; caret-color: rgb(64, 64, 64); color: rgb(64, 64, 64); font-family: Lato, proxima-nova, "Helvetica Neue", Arial, sans-serif;"><li style="box-sizing: border-box; list-style: none; display: inline-block; padding-top: 5px;"><a href="https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL.html" style="box-sizing: border-box; color: rgb(155, 89, 182); cursor: pointer;">FORCE_EVAL</a>/</li><li style="box-sizing: border-box; list-style: none; display: inline-block; padding-top: 5px;"><a href="https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/DFT.html" style="box-sizing: border-box; color: rgb(155, 89, 182); cursor: pointer;">DFT</a>/</li><li style="box-sizing: border-box; list-style: none; display: inline-block; padding-top: 5px;"><a href="https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/DFT/SCF.html" style="box-sizing: border-box; color: rgb(155, 89, 182); cursor: pointer;">SCF</a>/</li><li style="box-sizing: border-box; list-style: none; display: inline-block; padding-top: 5px;"><a href="https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/DFT/SCF/PRINT.html" style="box-sizing: border-box; color: rgb(155, 89, 182); cursor: pointer;">PRINT</a>/</li><li style="box-sizing: border-box; list-style: none; display: inline-block; padding-top: 5px;">RESTART</li></ul><div><font color="#404040" face="Lato, proxima-nova, Helvetica Neue, Arial, sans-serif" size="3"><span style="caret-color: rgb(64, 64, 64);"><br /></span></font></div><div><ul style="font-size: 16px; box-sizing: border-box; margin: 0px; padding: 0px; list-style: none; caret-color: rgb(64, 64, 64); color: rgb(64, 64, 64); font-family: Lato, proxima-nova, "Helvetica Neue", Arial, sans-serif;"><li style="box-sizing: border-box; list-style: none; display: inline-block; padding-top: 5px;"><a href="https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL.html" style="box-sizing: border-box; color: rgb(155, 89, 182); cursor: pointer;">FORCE_EVAL</a>/</li><li style="box-sizing: border-box; list-style: none; display: inline-block; padding-top: 5px;"><a href="https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/DFT.html" style="box-sizing: border-box; color: rgb(155, 89, 182); cursor: pointer;">DFT</a>/</li><li style="box-sizing: border-box; list-style: none; display: inline-block; padding-top: 5px;">SCF/</li><em style="box-sizing: border-box;">SCF_GUESS RESTART</em></ul><ul style="font-size: 16px; box-sizing: border-box; margin: 0px; padding: 0px; list-style: none; caret-color: rgb(64, 64, 64); color: rgb(64, 64, 64); font-family: Lato, proxima-nova, "Helvetica Neue", Arial, sans-serif;"><li style="box-sizing: border-box; list-style: none; display: inline-block; padding-top: 5px;">   Regards</li></ul><div><font color="#404040" face="Lato, proxima-nova, Helvetica Neue, Arial, sans-serif" size="3"><span style="caret-color: rgb(64, 64, 64);">Marcella</span></font></div></div><br /><div class="gmail_quote"><div dir="auto" class="gmail_attr">On Tuesday, November 5, 2024 at 6:19:31 PM UTC+1 ChStCo wrote:<br/></div><blockquote class="gmail_quote" style="margin: 0 0 0 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">Hi, would anyone please so nice to let me know where I can find the documentation on how to request the output of a wavefunction file and how to read it into a new calculation. Best, Stevie</blockquote></div>

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