Re: [SIESTA-L] about Fermi Surface

2005-07-10 Thread Paulo Cesar Piquini
or the other value (F_E value). Best regards. SI Mingsu July 10, 2005 -- Paulo Cesar Piquini Departamento de Física Universidade Federal de Santa Maria 97105-900 Santa Maria, RS Brasil Fax: 55 55 220-8032 e-mail: [EMAIL PROTECTED]; [EMAIL PROTECTED]

Re: [SIESTA-L] How to Use CG without changing cell ?

2005-05-10 Thread Paulo Cesar Piquini
. Regards Liger Chen -- Paulo Cesar Piquini Departamento de Física Universidade Federal de Santa Maria 97105-900 Santa Maria, RS Brasil Fax: 55 55 220-8032 e-mail: [EMAIL PROTECTED]; [EMAIL PROTECTED]

Re: [SIESTA-L] Treating of charged defects and pseudopotentials for ions

2005-05-09 Thread Paulo Cesar Piquini
| Laboratoire Collisions, Agrégats, Réactivité, IRSAMC | Université Paul Sabatier | 118 route de Narbonne | 31062 Toulouse | France | | e-mail: [EMAIL PROTECTED] | tel.+33 (0)5 61556071 | fax.+33 (0)5 61558317 | | -- Paulo Cesar Piquini Departamento de Física

Re: [SIESTA-L] problem with geometry optimization

2005-02-15 Thread Paulo Cesar Piquini
of Chemistry, National University of Singapore 3 Science Drive, Singapore 117542, Singapore Tel: (65)6874-7880; Fax: (65)-6779-1691 E-mail: [EMAIL PROTECTED] == -- Paulo Cesar Piquini Departamento de Física Universidade Federal de Santa Maria