dear all Thank you all for your kind advice. when i use new version siesta-trunk 427 see another error in first step
The electrodes are not situated in the same coordinates. Please correct. Stopping Program from Node: 0 but i think my coordinates correct. i run it with version 3.1 easily. if two version have a big difference in coordinates step? i attach my both electrode and scattering fdf files. can any body see this error and help me please? best regards homa ________________________________ From: Nick Papior Andersen <[email protected]> To: homa saeedfiroozeh <[email protected]> Sent: Tuesday, December 11, 2012 11:20 AM Subject: Re: [SIESTA-L] transmission spectrum If you have used the 3.1 tbtrans version it will have a spin factor associated. Thus you will see twice what is "expected". You can also see that every step in the transmission spectrum is of order 2G_0. So my guess is that you use that version. You can try a new version of tbtrans in the development version (see a mail to the list from yesterday). This will not have this spin factor on the transport. Kind regards Nick 2012/12/10 homa saeedfiroozeh <[email protected]> > > > >Dear all trasiesta users; > > > > >i want to calculate transport for AGN.s but when my calculations finish see >that transmission spectrum is to higher than usual and about 6. > >Who has experience on this problem, will you please share your experience? >Thanks for your share. Yours >homa > > > > > > > > > > >
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