<html><head></head><body><div class="ydp56fdd4d4yahoo-style-wrap" style="font-family: verdana, helvetica, sans-serif; font-size: 13px;"><div dir="ltr" data-setdir="false">Hi there</div><div dir="ltr" data-setdir="false"><br></div><div dir="ltr" data-setdir="false">What is the default <span>Poisson solver in cp2k for a GEO_OPT calculation...? I have performed a <span><span style="color: rgb(0, 0, 0); font-family: verdana, helvetica, sans-serif;">GEO_OPT using PADE approach without specifying <span><span style="color: rgb(0, 0, 0); font-family: verdana, helvetica, sans-serif;">Poisson solver and it's converged, but I would like to reoptimize the same system with PBE but I was wondering which <span><span style="color: rgb(0, 0, 0); font-family: verdana, helvetica, sans-serif;">Poisson solver would be better for my system...? The molecule is an Mn12-acetate cluster</span></span></span></span></span></span> (please see the attached). I have looked into the manual but I wasn't able to find out many details...<span><span style="color: rgb(0, 0, 0); font-family: verdana, helvetica, sans-serif;"> </span></span></span> </div><div dir="ltr" data-setdir="false"><br></div><div dir="ltr" data-setdir="false">I am in trying with WAVELET but I am getting a warning:</div><div dir="ltr" data-setdir="false"><br></div><div dir="ltr" data-setdir="false"><div><div> *** WARNING in pw/ps_wavelet_methods.F:236 :: Density non-zero on the ***</div><div> *** edges of the unit cell: wrong results in WAVELET solver </div></div></div><div><br></div><div dir="ltr" data-setdir="false">-Monu</div><div class="ydp56fdd4d4signature"><div style="font-family:verdana, helvetica, sans-serif;font-size:13px;"><span><div class="ydp54233f76pasted-link"><div dir="ltr"><div class="ydp230fadf1pasted-link"><div class="ydpa17c8b88pasted-link"><br></div></div></div></div></span></div></div></div></body></html>