<div dir="ltr">I would assume that the functionals that have keywords are the functionals that are implemented.<br><br>On Monday, December 9, 2013 3:38:14 PM UTC+1, hua...@mail.huji.ac.il wrote:<blockquote class="gmail_quote" style="margin: 0;margin-left: 0.8ex;border-left: 1px #ccc solid;padding-left: 1ex;"><div dir="ltr">Dear All,<div><br></div><div>I would like to know how many DFT functionals are available in CP2K. I just found some functionals in <a href="http://manual.cp2k.org/cp2k-2_3-branch/CP2K_INPUT/ATOM/METHOD/XC/XC_FUNCTIONAL.html" style="font-family:monospace;text-transform:uppercase" target="_blank" onmousedown="this.href='http://www.google.com/url?q\75http%3A%2F%2Fmanual.cp2k.org%2Fcp2k-2_3-branch%2FCP2K_INPUT%2FATOM%2FMETHOD%2FXC%2FXC_FUNCTIONAL.html\46sa\75D\46sntz\0751\46usg\75AFQjCNHX9d3OBDHm4ue25jx8F7KjrcFiWA';return true;" onclick="this.href='http://www.google.com/url?q\75http%3A%2F%2Fmanual.cp2k.org%2Fcp2k-2_3-branch%2FCP2K_INPUT%2FATOM%2FMETHOD%2FXC%2FXC_FUNCTIONAL.html\46sa\75D\46sntz\0751\46usg\75AFQjCNHX9d3OBDHm4ue25jx8F7KjrcFiWA';return true;">XC_FUNCTIONAL</a> section in CP2K manual, shown as below,</div><div><div><ul style="color:rgb(0,0,0);font-family:'Times New Roman';font-size:medium"><li><a href="http://manual.cp2k.org/cp2k-2_3-branch/CP2K_INPUT/ATOM/METHOD/XC/XC_FUNCTIONAL.html#list_SECTION_PARAMETERS" target="_blank" onmousedown="this.href='http://www.google.com/url?q\75http%3A%2F%2Fmanual.cp2k.org%2Fcp2k-2_3-branch%2FCP2K_INPUT%2FATOM%2FMETHOD%2FXC%2FXC_FUNCTIONAL.html%23list_SECTION_PARAMETERS\46sa\75D\46sntz\0751\46usg\75AFQjCNHYEf22bO4-QJWp0PzuVNSpZOAWIw';return true;" onclick="this.href='http://www.google.com/url?q\75http%3A%2F%2Fmanual.cp2k.org%2Fcp2k-2_3-branch%2FCP2K_INPUT%2FATOM%2FMETHOD%2FXC%2FXC_FUNCTIONAL.html%23list_SECTION_PARAMETERS\46sa\75D\46sntz\0751\46usg\75AFQjCNHYEf22bO4-QJWp0PzuVNSpZOAWIw';return true;">SECTION_PARAMETERS</a></li></ul></div><div><span style="color:rgb(0,0,0);font-family:'Times New Roman';font-size:medium">List of valid keywords:</span><ul style="list-style-type:square;color:rgb(0,0,0);font-family:'Times New Roman';font-size:medium"><li><dl><dt><big style="font-family:monospace;font-size:13px;text-transform:uppercase">B3LYP</big></dt></dl></li><li><dl><dt><big style="font-family:monospace;font-size:13px;text-transform:uppercase">BLYP</big></dt></dl></li><li><dl><dt><big style="font-family:monospace;font-size:13px;text-transform:uppercase">BP</big></dt></dl></li><li><dl><dt><big style="font-family:monospace;font-size:13px;text-transform:uppercase">HCTH120</big></dt></dl></li><li><dl><dt><big style="font-family:monospace;font-size:13px;text-transform:uppercase">NONE</big></dt></dl></li><li><dl><dt><big style="font-family:monospace;font-size:13px;text-transform:uppercase">NO_SHORTCUT</big></dt></dl></li><li><dl><dt><big style="font-family:monospace;font-size:13px;text-transform:uppercase">OLYP</big></dt></dl></li><li><dl><dt><big style="font-family:monospace;font-size:13px;text-transform:uppercase">PADE</big></dt></dl></li><li><dl><dt><big style="font-family:monospace;font-size:13px;text-transform:uppercase">PBE</big></dt></dl></li><li><dl><dt><big style="font-family:monospace;font-size:13px;text-transform:uppercase">PBE0</big></dt></dl></li><li><dl><dt><big style="font-family:monospace;font-size:13px;text-transform:uppercase">TPSS</big></dt></dl></li></ul></div></div><div><br></div><div>Are there the all functionals available for CP2K? If not, where to find the list for all the functionals?</div><div><br></div><div>Best wishes,</div><div>Huan</div><div><br></div><div><br></div></div></blockquote></div>