Re: [SIESTA-L] Transietsa/sisl problem

Hi, Den ons. 20. maj 2020 kl. 22.04 skrev shirin zandi < shirinzandi1...@gmail.com>: > Dear Nick, > The sgeom works and it produces: > info:0: SislInfo: Scaling vector by: 2.7056029424251387 > > What was wrong with the sdata command? and also how I can scaling all the > bond current vectors by

RE: [SIESTA-L] Transietsa/sisl problem

(CMT) Group | School of Physics THE UNIVERSITY OF SYDNEY | NSW | 2006 From: Nick Papior<mailto:nickpap...@gmail.com> Sent: Wednesday, 20 May 2020 6:00 AM To: siesta-l<mailto:siesta-l@uam.es> Subject: Re: [SIESTA-L] Transietsa/sisl problem Den man. 18. maj 2020 kl. 22.00 skrev El

Re: [SIESTA-L] Transietsa/sisl problem

e) > Condensed Matter Theory (CMT) Group > > | School of Physics > THE UNIVERSITY OF SYDNEY | NSW | 2006 > > > > *From: *Nick Papior > *Sent: *Monday, 18 May 2020 6:01 AM > *To: *siesta-l > *Subject: *Re: [SIESTA-L] Transietsa/sisl problem > > > > Hi, >

Re: [SIESTA-L] Transietsa/sisl problem

Could you try with: sgeom instead of sdata? That forces the interpreter to recognize geometry output settings. Den man. 18. maj 2020 kl. 22.02 skrev shirin zandi < shirinzandi1...@gmail.com>: > Dear Nick, > > Many thanks. > > I did the data por.TBT.nc --info command and

Re: [SIESTA-L] Transietsa/sisl problem

Dear Nick, Many thanks. I did the data por.TBT.nc --info command and this is what code produces: Device information: - number of kpoints: 1 <- [ A = 1 , B = 1 , C = 1 ] (time-reversal unknown) - energy range: -4.99950 -- 4.99950 eV [1.000 meV] - imaginary part

RE: [SIESTA-L] Transietsa/sisl problem

El-abed Haidar | Doctor of Philosophy (Science) Condensed Matter Theory (CMT) Group | School of Physics THE UNIVERSITY OF SYDNEY | NSW | 2006 From: Nick Papior<mailto:nickpap...@gmail.com> Sent: Monday, 18 May 2020 6:01 AM To: siesta-l<mailto:siesta-l@uam.es> Subject: Re: [SIESTA-L

Re: [SIESTA-L] Transietsa/sisl problem

Hi, Simply do: sdata por.TBT.nc --help and you'll see what commands are available. Please give back this command: sdata por.TBT.nc --info Den lør. 16. maj 2020 kl. 22.02 skrev shirin zandi < shirinzandi1...@gmail.com>: > Dear Nick, > > Thank you so much for your reply. After that I've got

Re: [SIESTA-L] Transietsa/sisl problem

Dear Nick, Thank you so much for your reply. After that I've got the following error : No data has been collected in the arguments, nothing will be written, have you forgotten arguments? The command I have run is this : sdata por.TBT.nc --vector vector_current elec_1 0.1

Re: [SIESTA-L] Transietsa/sisl problem

Hi, You probably haven't calculated bond currents. Please check your tbtrans input options. / Nick On Thu, 14 May 2020, 22:13 shirin zandi, wrote: > Dear Transiesta/sisl user > > I am trying to use sisl code to analyze the Transiesta obtained data, But > when I use this code the below error

[SIESTA-L] Transietsa/sisl problem

Dear Transiesta/sisl user I am trying to use sisl code to analyze the Transiesta obtained data, But when I use this code the below error has appeared: Traceback (most recent call last): File "/share/apps/anaconda3/bin/sdata", line 11, in load_entry_point('sisl==0.9.5', 'console_scripts',