2018-02-27 6:31 GMT+01:00 Fazle Subhan <[email protected]>: > Thanks Sir > I plot it but now i have another question if you don't mind please, > actually i already calculated the transmission spectrum from siesta4.0 > version. Now can i get the real-space eigenchannels from the results > obtained in the last calculations because one of the referee ask us about > the eigenchannels by using the inelastica code? (although we don't install > transiesta with the netCDF libraries for inelastica ) > > Actually we plot isosurface for charge density difference at zero and a > finite applied bias as eigenchannels (i m attaching the output file for > charge density difference) is it ok or not ? > Whether it is OK or not is not something I can easily answer. Note that eigenchannels are not charge density difference. I don't exactly know what you mean. I would heavily advice you to read up on the eigenchannel method. See https://journals.aps.org/prb/abstract/10.1103/PhysRevB.76.115117
> > My second question is regarding the DOS for the scattering region in the > SystemLabel.TRANS file (weather it is bias dependent DOS or not ) ? > If you apply a bias then surely all output of tbtrans is bias dependent. > > Sorry for such questions and taking your time > > Thanks in advance > > Fazle Subhan > PhD Student > Deptt.of Physics > Pukyung National University > Nam-gu Busan, Korea > > On 27 February 2018 at 04:27, Nick Papior <[email protected]> wrote: > >> Dear Fazle, >> >> 2018-02-25 9:13 GMT+01:00 Fazle Subhan <[email protected]>: >> >>> Dear Nick Sir >>> >>> >>> I want to calculate the real-space transmission eigenchannels for which >>> I already install the transiesta with netCDF libraries. As a beginner >>> I have no idea how to start and from where to get some guidance. >>> >>> I try to run the given test example (AuH2) where I run the ELEC with the >>> new transiesta executable and then I try to run the device part as I >>> already did. After tbtrans calculation I run this command >>> >>> EigenChannels --NumChan=1 --BothSides ECrun >>> >>> After running this command I get some files like in ECrun directory >>> >>> Chain.EC.1L.abs.txt Chain.EC.1L.XSF Chain.EC.1R.curr.AXSF >>> Chain.EC.TotL.curr.AXSF EigenChannels.log >>> >>> Chain.EC.1L.curr Chain.EC.1R.abs.txt Chain.EC.1R.XSF >>> Chain.EC.TotR.curr >>> >>> Chain.EC.1L.curr.AXSF Chain.EC.1R.curr Chain.EC.TotL.curr >>> Chain.EC.TotR.curr.AXSF >>> >>> >>> >>> Now my question is that which one file can be used for eigenchannels >>> >> The XSF files are the eigenchannels. You should plot them using XCrysDEN. >> >>> >>> >>> Or simply sir can you please guide me how to calculate the real-space >>> transmission eigenchannels and >>> >>> projected transmissions analysis. >>> >>> >>> >>> Thanks in advance >>> >>> >>> rm-��q�A{c >>> >>> Fazle Subhan >>> PhD Student >>> Deptt.of Physics >>> Pukyung National University Korea >>> >>> >>> On 20 February 2018 at 21:38, Nick Papior <[email protected]> wrote: >>> >>>> The transmission eigenvalue values can easily be calculated using any >>>> version of tbtrans. >>>> In 4.0.X and prior versions: TS.TBT.NEigen >>>> For 4.1 and later: TBT.T.Eig >>>> >>>> If you want to plot real-space transmission eigenchannels you should >>>> use the Inelastica toolsuite. >>>> >>>> 2018-02-17 16:12 GMT+01:00 Fazle Subhan <[email protected]>: >>>> >>>>> >>>>> Dear Siesta/Transiesta users and experts >>>>> >>>>> I need some help regarding the transmission channels calculation. I >>>>> already run the given test examples for I-V curve calculation but now I >>>>> want to learn how to calculate the transmission channels calculations. >>>>> Please some body help me by providing a sample input file for transmission >>>>> channels calculation. >>>>> >>>>> Thanks in advance >>>>> >>>>> Fazle Subhan >>>>> PhD Student >>>>> Deptt.of Physics >>>>> Pukyung National University >>>>> Nam-gu Busan, Korea >>>>> Cell # 010-3774-8303 >>>>> >>>> >>>> >>>> >>>> -- >>>> Kind regards Nick >>>> >>> >>> >> >> >> -- >> Kind regards Nick >> > > -- Kind regards Nick
