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 ? My second question is regarding the DOS for the scattering region in the SystemLabel.TRANS file (weather it is bias dependent DOS or not ) ? 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 >
Fig. 1.pdf
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