Messages

1

General Questions and Answers / Simulation of doped ZnO with optimization

« on: June 6, 2023, 11:22 »

Hi all

Have you tried of simulation of ZnO with some doping material, and if you used "Optimization", did it take a long time (I mean weeks)? Or did I do something wrong?

Regards

2

General Questions and Answers / Software does not open

« on: April 17, 2023, 11:51 »

Hi All,
When I install the Quantum ATK 2020/2022, after installation the main software window does not open. It gives me the window (attachment no. 1), but not further. When I try to open from main icon in the desktop, it shows me only this window (attachment no. 2), not further. I used older version in this PC. It is updated Window 10, 6 RAM, 64 bit Intel.

Can you guide me please?

3

General Questions and Answers / Re: Density of States error

« on: April 16, 2023, 01:32 »

it should be played with k-point in the "DensityofState" in the Script section, do not leave the "default" one. k-point settings can be different with the "Main" menu in the "LCAO calculator" and in the "DensityofStates" section separately.

4

General Questions and Answers / Density of States error

« on: April 13, 2023, 14:40 »

Hi all, I have such an error that, for Al2O3 band gap energy and DOS results are totally different (see attachments), what can be a problem?

Thanks in advance

Regards
Ruhani

5

General Questions and Answers / Re: Optimization issue

« on: April 7, 2023, 05:40 »

Dear Anders,
Is there any video tutorial, webinar, document or publication about your reply that you can forward me please, I am in stuck with Optimization, and need to be accurate in dividing that to steps.

6

General Questions and Answers / QuantumATK has encountered problem

« on: April 5, 2023, 05:16 »

Hello,

I have kind of problem when I want to run simulation in the end (after Scripter set up). When I click "Run" it shows "Finished" immediately and no result, and I tried to delete file from job manager, it shows me this window (see attachment). I had this problem before for opening "Builder", I uninstall and reinstall again, "Builder" is okay but now this is happening.

How can I solve this problem.

Best
Ruhani