Messages

1

General Questions and Answers / How to calculate optical conductivity from optical spectrum

« on: May 14, 2017, 13:42 »

Hello,

Can any one explain me how to calculate optical conductivity and oscillating strength of graphene nanoribbon from its optical spectrum data?

2

General Questions and Answers / Optical Spectrum, Oscillator strength and Transition states.

« on: September 12, 2016, 07:08 »

Can anyone explain me
1. How to find oscillator strength from calculated optical spectrum ?
2. How to find transition states of graphene corresponding to each oscillating strength?
3. How HOMO-LUMO states are involved for each oscillator strength ?   

3

General Questions and Answers / Re: How to plot Potential energy vs Distance in transport direction plot

« on: April 15, 2016, 12:45 »

Thanks for your kind reply,

But still I am confused about How to extract the DOS along the device transport direction

4

General Questions and Answers / Re: How to plot Potential energy vs Distance in transport direction plot

« on: April 15, 2016, 08:36 »

Can you please share the script file to plot potential energy vs distance plot

5

General Questions and Answers / Re: How to calculate PVR (Ip/Iv) in NDR curve and effective mass?

« on: October 19, 2015, 10:55 »

Thanks for your kind reply it really works. I m very happy.

6

General Questions and Answers / Re: How to calculate PVR (Ip/Iv) in NDR curve and effective mass?

« on: October 15, 2015, 11:25 »

Hello Sir,
 Sorry for late reply. But I am confused of split interpolation. What is it and how to correct it ?

Thanking You,
Sukhbir Singh. 

7

General Questions and Answers / How to calculate PVR (Ip/Iv) in NDR curve and effective mass?

« on: October 1, 2015, 08:49 »

Hello,

I have done some DFT calculation of device and bulk and I have following question regarding it.
1. How to find peak valley ratio (PVR) Ip/Iv of negative differential region, If Iv lies in negative value( see attachment IVplot).?
2. How to find effective mass and what else details are provided in it (see attachment (Effective mass)) ?     

8

General Questions and Answers / Re: How to find checkpoint file and restart calculation in linux redhat system

« on: September 24, 2015, 09:04 »

Thanks lot for your kind reply

9

General Questions and Answers / Re: How to find checkpoint file and restart calculation in linux redhat system

« on: September 24, 2015, 07:15 »

Thanks for your kind reply,

My calculation  is completed. But, It is showing some error and I am unable to understand it. I am attaching the screenshot of it.
Please guide me accordingly where i am making mistake.

10

General Questions and Answers / Re: How to find checkpoint file and restart calculation in linux redhat system

« on: September 23, 2015, 12:44 »

Thanks for reply,

I have got checkpoint file from tmp folder. Now I want to know that, Should I keep name of output file (analysis.nc) same as it was in previous script. Because half of its calculation is complete. So does the calculation start from where it stopped and now i can expect all results .
   

11

General Questions and Answers / Re: How to find checkpoint file and restart calculation in linux redhat system

« on: September 23, 2015, 07:05 »

Thanks for your reply,
But I am confused because tmp folder contain many checkpoint file and i have opened them all in editor but they donot contain correct input information. So is there any other folder where by default it can be stored . Therefore, how should i analyse it. Secondly,I am unable to find log file.
Please guide me.   

12

General Questions and Answers / How to find checkpoint file and restart calculation in linux redhat system

« on: September 22, 2015, 18:55 »

Hello,
I was running calculation on Graphene FET by using mpiexec parallel run. But my calculation stopped due to power cut. Hence I am unable to find checkpoint file to restart it again. Presently, i am using 12.8.2 version of ATK-VNL in linux base operating system (Red Hat).
So, Can anyone tell me
1. How to find and locate appropriate checkpoint file
2. How to restart it (If any anyone can provide me video)
3. Does restart can provide all analysis results.