Dear Berna, It's about Transiesta warning. I can fix it now. Thank you for your help.
Best wishes, Anita On 5 December 2016 at 03:17, berna uyanık <bernauya...@gmail.com> wrote: > Dear Anita, > Is your question about "transiesta error in electrode size" or about zGNR > zGNR is suitable for device electronics because of its semiconductor > properties. There are articles in scholar.google.com for zGNR devices. > Regards. > > 2016-12-05 1:34 GMT+02:00 berna uyanık <bernauya...@gmail.com>: > >> http://docs.quantumwise.com/tutorials/intro_vnl_atk3/intro_vnl_atk3.html >> There is a little information in quantumwise.com. But I think, you >> should write maunally lengths of electrodes for zGNR. In my opinion, you >> can create zGNR nanodevices. >> >> 2016-12-05 1:12 GMT+02:00 berna uyanık <bernauya...@gmail.com>: >> >>> Tbtrans has been using netcdf4 since siesta4.1. There are changes in fdf >>> files. >>> But, I had same error which was fixed by "TS.NumUsedAtomsRight/Left " in >>> siesta4.0. >>> For transport calculations you can also try abinit and wanT together. >>> And compere results. >>> Bests. >>> >>> 2016-12-04 0:54 GMT+02:00 berna uyanık <bernauya...@gmail.com>: >>> >>>> 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 >>>>> >>>>> >>>> >>> >> >
