[SIESTA-L] Grimme units

2011-03-01 Por tôpico Paulo Cesar Piquini
. Well, I am thinking the the C6 constant should then be given in (eV) Ang^6. Am I right? Thanks in advance Paulo Piquini -- Paulo Cesar Piquini Departamento de Física (Physics Department) Universidade Federal de Santa Maria (Federal University of Santa Maria) 97105-900 Santa Maria, RS Brasil

Re: [SIESTA-L] has anyone been able to complie with Intel fortran v11

2010-03-01 Por tôpico Paulo Cesar Piquini
f the > > Intel Compiler v11.1. > > > > > > Best regards, > > Ferdinand > > > > > I got and compiled FoX library from the developers. Then I linked it to > siesta > -- Paulo Cesar Piquini Departamento de Física Universidade Federal de Santa Maria 97105-900 Santa Maria, RS Brasil Fax: 55 55 3220-8032 e-mail: ppiqu...@gmail.com; ppiqu...@smail.ufsm.br http://w3.ufsm.br/piquini

[SIESTA-L] has anyone been able to complie with Intel fortran v11

2010-02-26 Por tôpico Paulo Cesar Piquini
compile Siesta using Intel fortran v.11 + mkl? Paulo Piquini -- Paulo Cesar Piquini Departamento de Física Universidade Federal de Santa Maria 97105-900 Santa Maria, RS Brasil Fax: 55 55 3220-8032 e-mail: ppiqu...@gmail.com; ppiqu...@smail.ufsm.br http://w3.ufsm.br/piquini