Dear SIESTA users, I'm trying to construct pseudopotentials for Sb, S and I atoms, using spin-polarized case and exchange-correlation functional in the form, proposed by Ceperley-Alder. The parameters, used for the construction, provide a good transferability and other properties of pseudopotentials, and moreover, they do not lead to the appearance of ghost states.
But I'm worrying about the following WARNING messages in the log file: ---------------------------------------------------------- GHOST: No ghost state for L = 0 KBproj: WARNING: Rc( 0)= 5.2366 KBproj: WARNING: Cut of radius for the KB projector too big KBproj: WARNING: Increasing the tolerance parameter eps KBproj: WARNING: might be a good idea ------------------------------------------------------------ And these messages are present in outputs for all channels. I tried to solve the problem by using smaller r_c's, but it did not work and led to worse properties of pseudopotentials. So, I would like to kindly ask: is there anybody who knows how to deal with the problem? Is the problem serious enough to consider it, and if so, what should I do? I will appreciate any help! Thank you very much in advance! -- K.Rushchanskii, Dr. Theoretische Physik, Universität Regensburg 93040 Regensburg Germany tel: +49 (0) 941-943-2466 fax: +49 (0) 941-943-4382
