Re: [SIESTA-L] What is ADOS?

2023-03-25 Por tôpico yh46
Hello Srest, I think ADOS measures how much the DOS of a certain electrode is spilled onto a certain set of orbitals. So it is related to the DOS of the electrode, and how strong the orbitals are coupleed to the electrode. If the scattering region is not connected in the same way to the

[SIESTA-L] about the 'You are initializing the electrode EDM'

2023-03-25 Por tôpico Bo Xiao
Dear Siesta users I am calculating the I/V curve for one system, while some warning messages were shown in the output file "You are initializing the electrode EDM. This may result in erroneous forces on electrode atoms. Do not use forces from electrodes" I have read the manual, but can not find