Dear Henrik Löfås
Thank you very much!
Zhendong Guo
2010/10/7 Henrik Löfås <[email protected]>
> Dear Zhendong,
>
> Transiesta expects that the 4 last atoms (TS.NumUsedAtomsRight 4)
> specified for the scattering input should match your electrodes which they
> do not.
>
> from ERPositions.fdf
> 14.03085533 1.25249117 15.06766810 1
> 14.01268608 1.97774275 13.81153336 1
> 14.03077445 3.42790917 13.81176166 1
> 14.01262738 4.15304225 15.06746186 1
>
> compared to end of SPositions.fdf
> 9.58701314 2.77061220 15.01634763 2
> 9.58700921 4.94591556 13.76039616 2
> 5.35387481 1.97707005 13.80844406 2
> 5.35387481 4.15244805 15.06439912 2
>
> Best Regards
> Henrik
>
> 2010/10/7 Zhendong Guo <[email protected]>
>
> Hello everyone
>> I am using transiesta to calculate the currents of graphene, I always
>> meet such error: ERROR: lastoR,NGR2 0 6
>> 12 18 24
>> 16
>> ERROR: Unexpected no. orbs. in R elec. However the left electrode is all
>> right. The basic sets in the input files of left electrode and right
>> electrode are same except the coordinates of the atoms.
>> I will attach my input files.
>> Could you help me check them? Thank you in advance.
>>
>>
>>
>
>
