Messages

1

General Questions and Answers / error in device

« on: October 8, 2017, 20:34 »

Hi
when I run attached file,I face with this error:
Timing:                          Total     Per Step        %

--------------------------------------------------------------------------------

Loading Modules + MPI   :       8.80 s       8.80 s      99.97% |=============|
--------------------------------------------------------------------------------
Total                   :       8.80 s
  File "device.py", line 171
    conductance_list =transmission_spectrum.conductance(
                   ^
IndentationError: expected an indented block
what's wrong?

2

General Questions and Answers / device

« on: October 8, 2017, 19:46 »

Hi all users;
I designed a simple sensor as shown in attached file,I don't want to have gas molecules  in my electrodes but because my substrate is small they repeat in electrodes, unfortunately I can not change my dimensions and also I need to have device with 3 gas, do you have any solution ?

3

General Questions and Answers / InSe K point

« on: September 25, 2017, 20:49 »

Dear all,
I tried to create 3*3 InSe nanosheet(unitcell is attached ), but when I put the structure for relaxation, I need a lot of time (more than 8hours),  I changed K and  I realized that the main reason is K(reduced until 5 hours), but unfortunately I could not find the suitable k for this structure.please help me, I attached my structure