Messages

1

Installation and License Questions / ATK on CRAY XC Series

« on: May 14, 2015, 09:37 »

Dear QW Staff,

Trying to set up a computation lab for ATK, so needed a few information on its working and efficiency with various system.

1) I would like to know whether ATK is tested on CRAY XC Series supercomputing architecture?
2) It would be great if you would give me some idea on how does ATK computation time scale with respect to available number of cores.
3) Somewhere on the forum I read that for an 8GB system, around 500-600 atoms can be computed. So, does this scale linearly?  Does the capacity to compute structures with large number of atoms increase linearly with the available RAM?

Thanks

2

General Questions and Answers / Re: Gate-Drain Capacitance

« on: May 13, 2015, 14:38 »

Reply awaited!

3

General Questions and Answers / Gate-Drain Capacitance

« on: May 10, 2015, 16:15 »

I wanted to know how to calculate the Gate-Drain Capacitance(Cgd) using ATK?

4

General Questions and Answers / Re: Queries regarding ATK

« on: March 30, 2015, 16:15 »

Kindly reply!

5

General Questions and Answers / Queries regarding ATK

« on: March 29, 2015, 10:40 »

1. Is there a way to take into consideration Lattice Temperature in ATK ? There is electron temperature in calculators but is there a way to take into consideration the lattice temperature?

2. In my earlier post, I was informed that electron-phonon interaction will be introduced in the newer version. Can you let me know whether its done or yet to come?

3. Does ATK take into consideration self-heating due to phonon generation?

6

General Questions and Answers / Re: AlGaN Layer

« on: March 27, 2015, 16:15 »

Looking forward!
By when is it expected to be released?

7

General Questions and Answers / Re: AlGaN Layer

« on: March 26, 2015, 18:38 »

Dear QW Staff,

How to get a AlGaN alloy in ATK?

8

General Questions and Answers / AlGaN Layer

« on: March 25, 2015, 13:51 »

I want to build an AlGaN layer in ATK. I find GaN and AlN in the database. How should I go about creating AlGaN ?

9

General Questions and Answers / Re: Parameter to take a cut in Contour or 1D plot

« on: March 12, 2015, 20:15 »

Thanks Dr. Umberto,

But actually I wanted to take a specific cut for the current density contour within the width. 

10

General Questions and Answers / Parameter to take a cut in Contour or 1D plot

« on: March 12, 2015, 15:27 »

For any contour or 1-D plot plotted in ATK, along the width the values are averaged.

I wanted to know if its possible (and if possible, How?) to not use the averaged value along the width but rather get a cut along a specific 'x' value.

11

General Questions and Answers / Re: Potential Drop Contour

« on: March 10, 2015, 19:03 »

Thank You Dr. Umberto for your reply !

12

General Questions and Answers / Re: Contour plot of the C component of the linear response current density

« on: March 10, 2015, 18:49 »

Dear QW Staff,

In the current density contour plot, in the metal region if we see for the same metal atom, current density is red coloured(positive) as well as blue coloured(negative). What does this signify or what am I failing to see?

13

General Questions and Answers / Potential Drop Contour

« on: March 9, 2015, 16:14 »

QW Staff,

How to get the contour plot for potential drop across the device?

PFA a snapshot from a paper for reference.

 

14

General Questions and Answers / Re: Voltage Drop(V) vs. Device Length-Z(Ang) plot

« on: March 9, 2015, 16:10 »

In the voltage_drop.py I get an error in the following line:

Code

voltage_drop = potential[1]-potential[0]

Error: List Index out of range.

What does this potential[1] and potential[0] functions extract?

15

Installation and License Questions / Error while running vnl

« on: March 8, 2015, 11:59 »

Dear QW Staff,

When I try to run vnl I get the following error. It was working fine earlier, its only today I am facing this error. What might be the problem and possible solution to this?

libGL error: failed to open drm device: No such file or directory
libGL error: failed to load driver: i965

** Back Engine Exception : Unable to start license system - please contact QuantumWise support.

** Location of Exception : atklicense.cpp:149


/opt/QuantumWise/VNL-ATK-2014.0/bin/vnl: line 9:  6788 Aborted                 (core dumped) $EXEC_DIR/vnl_exec $*