Dear CP2K users/developers, I recently read a <a href="https://pubs.acs.org/doi/10.1021/jp311141k">paper on ADMM</a> where effectively only some parts of the system were treated at the hybrid level. They did this by designing a basis set MIN with only one Gaussian exponent for Ag atoms (page 5077). I would like to try this out for my own systems to describe the solvent with PBE and the solutes with PBE0. Would I have to design this minimal basis for each solvent element/kind with a OPTIMIZE_BASIS job, or is there an easier way to approach this? With kind regards, Bas PS: I think I found a bug in the REFTRAJ section. when I try to do a reftraj job with a stride larger than 1 I always get a EOF error, but when I append several dummy snapshots to the reference xyz trajectory it works fine. Besides that, the first snapshot is always labeled as step 1 (not 0) and I suspect this is the cause of the issue. -- You received this message because you are subscribed to the Google Groups "cp2k" group. To unsubscribe from this group and stop receiving emails from it, send an email to <a href="mailto:cp2k+unsubscribe@googlegroups.com">cp2k+unsubscribe@googlegroups.com</a>. To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/9abbc84f-82fb-47eb-ac5f-f2d3d9606da4n%40googlegroups.com?utm_medium=email&utm_source=footer">https://groups.google.com/d/msgid/cp2k/9abbc84f-82fb-47eb-ac5f-f2d3d9606da4n%40googlegroups.com</a>.