Topics

1

General Questions and Answers / InAs bulk bandstructure

« on: October 6, 2015, 14:00 »

I followed the tutorial for the InAs bandstructure MGGA calculation, but it results in zero bandgap. Where is my fault? Thanks

2

General Questions and Answers / VNL segmentation fault on Ubuntu

« on: October 31, 2012, 11:02 »

Hi, after installing vnl 12.2.2, the segmentation fault appears after adding new structure in builder:

QGLShader::link: "Fragment shader(s) linked, vertex shader(s) linked.
 "
Segmentation fault

I am runing under Ubuntu 9.10

Thaks for any help

3

Installation and License Questions / Parallel calculations using ATK 10.8.2

« on: January 27, 2011, 15:04 »

There exists any manual for parallel calculations using ATK 10.8.2 similar to manual for 2008.10 version? Are they any changes? Should I run atkpython instead of atk by testing using mpiexec?
I have problem Lamnodes Failed during mpiexec start.
Thanks for any help
Jan

4

General Questions and Answers / SE pseudopotentials (InSb)

« on: December 11, 2009, 14:13 »

Hi,
I tried different pseudopotential sets for fcc InSb crystal in ATK SE. All results show huge value of the bandgap (several eV). I appreciate any recommendation.

Jan

5

Installation and License Questions / license file for ATK SE

« on: November 3, 2009, 13:08 »

Hi Anders,
I try to install ATK SE under UBUNTU 9.04. I am not sure about the license file - need I to fill the trial version form for it, or will it be generated automaticaly till end of this year?

I have done this step:

Setting up machine for stand-alone license system:
 Success[0] -  System initialization successfully done.

Thanks for help

Jan