[SIESTA-L] question about transiesta

2013-07-12 Por tôpico akshu hans
Dear Siesta Users Is it necessary to attach the molecule to the electrodes in order to determine its transport properties??

Re: [SIESTA-L] Question about TRANSIESTA

2012-06-22 Por tôpico Artem Baskin
Thank you Assa very much. I got you, I just did not know that I could generate an output file for tbtrans. I thought it generates only .AVTRANS, .TRANS, TEIG, LDOS, RDOS files. Best regards, Artem On Thu, Jun 21, 2012 at 11:49 PM, Asa Aravindh wrote: > Hi, > I would like to answer your last qu

Re: [SIESTA-L] Question about TRANSIESTA

2012-06-21 Por tôpico Asa Aravindh
Hi, I would like to answer your last question. If you specify "TS.Voltage" parameter in the input file with some value, say 0.1 eV, and carry out transiesta and subsequently tbtrans, in your output file, the current will be written at the end, along with the input voltage. Best, Assa On Fri, Jun

[SIESTA-L] Question about TRANSIESTA

2012-06-21 Por tôpico Artem Baskin
Dear SIESTA/TRANSIESTA users, I have recently read the paper (PRB 81, 205437) and found it very interesting and enlightening. Since I want to reproduce these results, I faced with some questions that I want to address here, some of them are technical whereas others are conceptual. From hereon I wi