Please read my previous mail. 1) you see this error because your electrode is too short in the semi-infinite direction (transport direction) 2) transiesta versions prior to 4.0 did not check this and actually allowed calculations with too short electrodes (this is why you don't see the error message in 3.2) 3) the NEGF formalism does not constrain the type of electrode you use (there are, however, practical limitations), so using a zGNR electrode is viable. 4) you should read the manual carefully. See e.g. Section 9.6 for details (manual for 4.1-b2). 5) If you use an older version to bypass this error message your self-energies may be incorrectly calculated. I.e. I would NOT recommend this.
-- Kind regards Nick Papior On 5 Dec 2016 22:08, "anita dameh" <anita.da....@gmail.com> wrote: Yes, I got the same warning with Siesta 4.0 and 4.1. b.1 but there is no such warning with siesta 3.2. Regrades, Anita On 4 December 2016 at 02:24, berna uyanık <bernauya...@gmail.com> wrote: > Could you try with siesta 4.0? > > 2016-12-03 12:01 GMT+02:00 anita dameh <anita.da....@gmail.com>: > >> >> ---------- Forwarded message ---------- >> From: anita dameh <anita.da....@gmail.com> >> Date: 3 December 2016 at 10:52 >> Subject: Transiesta error in electrode size >> To: siesta-l@uam.es >> >> >> Dear Transiesta users, >> >> In the new version of Transiesta when I use the zigzag graphene >> nannoribbon (zGNR) as electrodes with the length 4.992 Å it represented >> errors that imply the electrode length is small. While I noticed there is >> no such error in siesta 3.2 and also this size of electrodes can describe >> electronic properties of zigzag nanoriboons such as DOS pick in Fermi >> energy levels. >> >> In your opinion this size of zGNR can be suitable for device set up >> application or NOT? >> >> >> >> >> Regards, >> >> Anita >> >> >
