Messages

1

General Questions and Answers / transmission[-1]

« on: July 3, 2013, 03:37 »

dear Professor:
    i saw a script in the web and how is the mean of [-1]:
    #read the transmission spectrum
transmission = nlread('dtb_analysis.nc',TransmissionSpectrum)[-1]
    Thanks in advance!
     best regards
jaco

2

General Questions and Answers / Re: calculate the average voltage drop along z axis

« on: June 30, 2013, 03:48 »

 Thanks!
 Maybe there is a misunderstanding on my expression. I want to calculate the voltage drop along Z axis, especially, not only for average of XY plane, but for a part of XY plane(where the atoms stay). as when a big lattice constant in XY plane may disturb the calculation when the voltage is used on the electrodes. is that right?

3

General Questions and Answers / calculate the average voltage drop along z axis

« on: June 29, 2013, 05:44 »

dear professor:
      i want to know how to calculate the average voltage drop along z axis.  how the calculate the z axis length. and how the calculate the voltage drop for a .nc file which contain many device configuration.

      Best regards!


jaco

4

General Questions and Answers / Re: calculate current by saved transmission spectrum report

« on: May 7, 2013, 04:02 »

Thanks all of you,  you kind reply make me feel the sunshine in the cold. maybe i did not express my idea exactly. the origin nc document can not work, it is too big. so i have to use that to calculate the current.
I get Professor kstokbro's ideas, but it is hard for me to do that. So i ask if any script that can be used in ATK and can used to calculate this.Or how can i change the format of saved transmission spectrum into the nc format?
I am appreciated your answer as soon as possible.
Best Regards,
jaco
 

5

General Questions and Answers / Re: calculate current by saved transmission spectrum report

« on: May 6, 2013, 10:12 »

Dear Norland
I think i got your ideas. but the question become that if i know the Transmission spectrum in a form of .log or .txt. how can i calculate the current?

6

General Questions and Answers / Re: calculate current by saved transmission spectrum report

« on: May 6, 2013, 08:27 »

yes, of course, the 0000.nc was saved by ever transmission spectrum in the big .nc document. thanks a lot. this .nc report can hardly be open. I means their are a save button for every transmission spectrum in the big .nc document. so i save it and named it as .nc document.  besides, i doubt that if i get the message from the .log document(as we know, the .log document can save the transmission spectrum), how can i calculate the current from these.
thanks  a lot
Great regards,
jaco

7

General Questions and Answers / calculate current by saved transmission spectrum report

« on: May 6, 2013, 04:43 »

Dear Professor:
     i have got the transmission spectrum report from a .nc document, and named it as .nc document. the origin .nc document can not be used. so i hope i can use this  transmission spectrum report to calculate the current. here i make a attempt to do that, but it does not work. the wrong message is
     Traceback (most recent call last):
  File "c:\docume~1\admini~1\locals~1\temp\0991215239625338.py", line 5, in <module>
    transmission_spectrum = nlread('F:/cnb/cnb/0000.nc', TransmissionSpectrum)

  File ".\zipdir\NL\IO\NLSaveUtilities.py", line 225, in nlread
  File ".\zipdir\NL\IO\NetCDFFile.py", line 156, in __init__
  File ".\zipdir\NL\IO\NetCDFFile.py", line 362, in _read
AssertionError: Error: F:/cnb/cnb/0000.nc is not a valid NetCDF 3 file
     so what can i do next?
your sincerely,
jaco

8

General Questions and Answers / Re: relax the graphene

« on: March 11, 2013, 16:06 »

Got it!!!!
Thanks a lot Dr. zh

9

General Questions and Answers / Re: relax the graphene

« on: March 11, 2013, 09:16 »

Thanks for your kindly reply!!
I am not sure what you mean, as you say, if the periodic direction is along the x direction, i think the y and z direction should to be constrained, is that your means? so what if for the graphene sheet?

10

General Questions and Answers / relax the graphene

« on: March 11, 2013, 06:10 »

Dear Sir,
     I have one simple question on the relaxation of the graphene. for example, I build a graphene nanoribbon in the new builder, and try to optimize it. should i make the x, y, z cell constrained or only the z cell are not constrained?
     I found that by minishing the max stree, z can be not changed. is it right?