Re: [SIESTA-L] NetCharge and doping

Thanks, I think I fully understand the options now. Best regards, Ernesto. On 21/10/16 09:38, Nick Papior wrote: 2016-10-21 9:05 GMT+02:00 Ernesto Ruiz >: Dear SIESTA users, I am currently trying to use the NetCharge and SimulateDoping

Re: [SIESTA-L] NetCharge and doping

2016-10-21 9:05 GMT+02:00 Ernesto Ruiz : > Dear SIESTA users, > > I am currently trying to use the NetCharge and SimulateDoping options > (SIESTA 4.1), but I cannot understand some of the explanations given in the > manual. From what I can understand, NetCharge sets a charge in

[SIESTA-L] NetCharge and doping

Dear SIESTA users, I am currently trying to use the NetCharge and SimulateDoping options (SIESTA 4.1), but I cannot understand some of the explanations given in the manual. From what I can understand, NetCharge sets a charge in the full volume of the supercell. Is that right? Also, using this