Messages

1

General Questions and Answers / Re: Calculating and plot dI/dV

« on: October 5, 2020, 08:19 »

Dear Anders Blom,
Thanks...

Whether this conductance value(dI/dV) and G are same?

Suppose if I give

 a=conductance (electrode_voltages=0.1 , electrode_temperatures=300)
print a

Will it(print a) give dI/dV value as in additional plot of IV curve plot?

Thanks

2

General Questions and Answers / Current in spin z

« on: September 22, 2020, 09:27 »

In the IV characteristic plot in VNL, is the spin =z is simply the difference between the spin up and spin down current?

Or something else. Can I get more information(physical significance, application) on it...at least  some links to read...



Thanks...

3

General Questions and Answers / Spin current

« on: September 22, 2020, 09:24 »

How to calculate spin current for a device?

4

General Questions and Answers / Re: Calculation of Mulliken population

« on: September 22, 2020, 08:58 »

If you means the electron density...Then, it can be calculated from script generator directly.

5

General Questions and Answers / Calculating and plot dI/dV

« on: September 22, 2020, 08:54 »

How to calculate the dI/dV using scripts? I can get it from IV characteristic tool in ATK.  Since, I have to plot many files, I would be like to calculate  using scripts. I have scripts to plot current from transmission spectrum. Now I want know how to add dI/dV in it.

I have searched for it(dI/dV analysis using script) in ATK. But I didn't get till now.

Thanks...

6

Scripts, Tutorials and Applications / Re: script for transmission spectrum various bias

« on: September 22, 2020, 08:48 »

Thanks for your reply. Hereby, I have attached my script. Kindly look at it.

Thanks...

7

Scripts, Tutorials and Applications / script for transmission spectrum various bias

« on: July 11, 2020, 11:26 »

I am trying to plot transmission coefficient for various bias.

 In the IV curve analysis, I can get the plot of transmission spectra for various bias. But the clarity is not good when I export as image.

I have written  a code which plot transmission spectra at various bias. But the problem is I want to know how to change the colour(as seen in current version of ATK iv analysis additional plot) or drawing line(as in older version of ATK) to specify the bias window in the transmission spectra.

Can I get the script or suggestion on how to create?

Thanks...

8

Installation and License Questions / Re: Cannot access from other users

« on: July 10, 2020, 17:24 »

Thank you so much... My problem resolved...

Thanks and regards,
Aadhityan A.

9

General Questions and Answers / Re: Getting density matrix, self energies etc.

« on: July 10, 2020, 17:23 »

Thanks a lot...

Regards,
Aadhityan A.

10

General Questions and Answers / Re: Getting density matrix, self energies etc.

« on: July 3, 2020, 15:58 »

Thank you so much for your information...

Is it possible to extract the Hamiltonian and the overlapping matrix of the system?

Thanks...

11

Installation and License Questions / Cannot access from other users

« on: June 23, 2020, 16:32 »

The QuantumATK was installed in HPCC server in a user account(let us say user1). I cannot access from other users(let us say user2) in the same HPCC. Can I change some thing in environmental variable. I have try with including the path in my bashrc file. But still I cannot be able to access.

May I have to install for every user account in the HPCC?

But if we install the VNL in any (remote) system and access from the job manager with the same user account (user1 user name and password) it can be accessible. But not from other user account.

12

General Questions and Answers / Re: Getting density matrix, self energies etc.

« on: June 23, 2020, 16:07 »

How can I get(extract) the self energies of electrode from optimised output  file? Where it will be?

13

General Questions and Answers / Getting density matrix, self energies etc.

« on: June 17, 2020, 10:41 »

Is it possible to obtain the values of Hamiltonian, density matrix, self energies of scattering region of a device and the green's function value in log file or some other files?