Messages

1

General Questions and Answers / CrI3

« on: December 28, 2018, 15:29 »

Hello

I was trying to build the structure of CrI3 and found the .cif file of CrI3. However, while importing it to the builder it is showing error. Kindly, help.
Attached are the .cif file of CrI3 and also the error.

2

General Questions and Answers / CrI3

« on: November 4, 2018, 08:36 »

How to build the structure of CrI3?
Does anyone has the .cif file of CrI3


Regards
Meena

3

General Questions and Answers / SOC

« on: September 17, 2018, 11:41 »

how does strong spin orbit coupling affect the TMR and spin injection efficiency in MTJs

Thanks

4

General Questions and Answers / Structure

« on: July 2, 2018, 10:25 »

Dear sir/madam

How to make the structure of CrBr3 (chromium Bromide)


Regards
Meena

5

General Questions and Answers / SCF

« on: May 2, 2018, 19:05 »

Hello

What is the full form of SCF used for self consistent calculations??
 

6

General Questions and Answers / Re: Hubbard U

« on: August 21, 2017, 12:55 »

hello

What about the hubbard U potential for fluorine

7

General Questions and Answers / Hubbard U

« on: August 21, 2017, 12:03 »

Dear staff

what is the hubbard U potential for carbon and fluorine atom


thanks

8

General Questions and Answers / Re: bandgap calculation

« on: August 10, 2017, 09:31 »

I tried many times, but unable to find

9

General Questions and Answers / bandgap calculation

« on: August 10, 2017, 09:06 »

dear sir

I want to calculate the band gap for the attached .py file..

Thnaks & Regards
meena

10

General Questions and Answers / Re: Virtual Nanolab problem

« on: August 2, 2017, 18:12 »

Dear sir
I have also simulated my structure on ATK 2016.4. However, I am getting same error. ATK 2016.4 is installed on CentOS Linux Operating System.
All the add-on are installed and updated....

the error is generated while running ivcurve_selfconsistent_configurations.nc file..

Thnaks

11

General Questions and Answers / Virtual Nanolab problem

« on: August 2, 2017, 16:35 »

Dear sir

While running programe on VNL,  Virtual Nanolab has encountered the following problem..

Please help me out in resolving this issue

Traceback (most recent call last):
  File "C:\Program Files (x86)\QuantumWise\VNL-ATK-2016.3\Lib\site-packages\AddOns\OldAnalysisReplacement\InfoPanelPlugin.py", line 84, in show
    self.setFromItems(self._cache)
  File "C:\Program Files (x86)\QuantumWise\VNL-ATK-2016.3\Lib\site-packages\AddOns\OldAnalysisReplacement\InfoPanelPlugin.py", line 114, in setFromItems
    supported, info = digestItem(items[0], self.labFloor())
  File "C:\Program Files (x86)\QuantumWise\VNL-ATK-2016.3\Lib\site-packages\AddOns\OldAnalysisReplacement\Digester.py", line 102, in digestItem
    item = labfloor_item.load()
  File ".\zipdir\NL\GUI\MainWindow\LabFloor\LabFloorModel.py", line 263, in load
NLReturnValueError: total size of new array must be unchanged


thanks
Shweta

12

General Questions and Answers / Re: Different model between CNT and electrode

« on: July 1, 2017, 00:06 »

thank you sir

13

General Questions and Answers / CNT Bundle

« on: June 29, 2017, 23:19 »

hello sir

does different types of CNT bundles influence the transport properties?


Regards
Meena

14

General Questions and Answers / Different model between CNT and electrode

« on: June 29, 2017, 20:38 »

Hello sir

I am working on MTJ with CNT as barrier. since the effect of the interface have an assignable influence on the transport properties of the molecular junction. What different model between CNT and electrodes should be considered.

Thanks
Meena

15

General Questions and Answers / Re: Bi2Se3 nanosheet

« on: June 2, 2017, 09:31 »

Hello sir

I need to build monolayer of Bi2Se3 as graphene monolayer