[SIESTA-L] Basis-set and pseudopotential for Zinc

Dear SIESTEROS, Does anybody have a pseudopotential and basis-set for Zn. I am working on GGA-PBE calculations of ZnO. Best regards, Daniel Prades University of Barcelona

[SIESTA-L] All electron calculations with SIESTA

Dear SIESTA users, I wonder if, additionally to the calculations based on pseudo-potentials, is it possible to perform all electron calculations with SIESTA. Best regards, Daniel Prades Univerisity of Barcelona

[SIESTA-L] Simplex program

Dear Siesteros, I am looking for the Simplex program for basis set optimization. Where can I obtain a copy? Best regards, Daniel Prades University of Barcelona

[SIESTA-L] Indium basis set and pseudo

Dear SIESTA users, Anybody has a basis set and pseudopotential for Indium? Best wishes, Daniel Prades University of Barcelona

Re: [SIESTA-L] Siesta 1.3p abortion

Dear Frank, We are in the same situation you are but our machine is an SGI Altix3700. Have you been able to solve the problem. We are working on it right now. As soon as we would succeed we'll tell you. Cheers, Daniel ____ J.Daniel Prades García Depart