[SIESTA-L] How to set up these parameters in SIESTA

2007-05-14 Thread Chaohao Hu
Dear Siesta users, How to set up the PrefactorSoft and InnerRadsoft inputing parameters when considering the new soft confinement potential in the basis sets? I can also obtain the satisfactory results even though I do not consider this scheme in my present work. I have no much experience on

Re: [SIESTA-L] How to set up these parameters in SIESTA

2007-05-17 Thread Eduardo Anglada
Dear C. H. Hu, The Prefactor could be around 150 and the Inner radious could be 3/4 of the cutoff radious. Regards, Eduardo On 14/05/2007, at 9:03, Chaohao Hu wrote: Dear Siesta users, How to set up the PrefactorSoft and InnerRadsoft inputing parameters when considering the new soft con