[SIESTA-L] Molecular Dynamics In siesta

2007-11-01 Thread M.Sairam Swaroop
Dear Siesta Users, I would be grateful if somebody could point out to me when to use the molecular dynamics as implemented in siesta. As a first assumption from the papers which have reported results using ab-initio MD with siesta, i get the impression that this would be useful for for systems wh

Re: [SIESTA-L] Molecular Dynamics In siesta

2007-11-03 Thread Andrei Postnikov
On Fri, 2 Nov 2007, M.Sairam Swaroop wrote: | Dear Siesta Users, | | I would be grateful if somebody could point out to me when to use the | molecular dynamics as implemented in siesta. | | As a first assumption from the papers which have reported results using | ab-initio MD with siesta, i get