Messages

1

Scripts, Tutorials and Applications / Re: LiH2 voltage drop

« on: December 7, 2010, 08:38 »

This is very different from your first post, and with ATK 2008.10, that's as good as it gets.

Thank you for your reply.
I add
electrode_voltages = (-0.05,0.05)*Volt in script.
 I am puzzled that there ocurred the voltage drop in the two electrodes. Dosen't voltage gently changed in both electrodes?

2

Scripts, Tutorials and Applications / Re: LiH2 voltage drop

« on: December 6, 2010, 09:18 »

Have a look at your coordinates, it seems they have been shifted slightly (weird decimals), so you don't have a nice periodicity close to the right electrode. This introduces a scattering center, causing the voltage to drop, precisely as you obtain. The coordinates should also be ordered in Z, while yours are ordered quite randomly...

I have rewrited the script in according to the manu, but I still get the same result as before .

3

Scripts, Tutorials and Applications / Re: LiH2 voltage drop

« on: November 27, 2010, 14:29 »

You probably just made a small mistake. But since you don't share any details, like the scripts you are running, it's impossible to figure out.

There are my scripts. 

4

Scripts, Tutorials and Applications / LiH2 voltage drop

« on: November 27, 2010, 03:17 »

Hi
 I have calculated potential about the Li_H2 chain, but I can not get the reasonable result. The potential abrupt changed at the right electrode edge. This puzzle me several weeks, what problem happened?

5

General Questions and Answers / I-V calculation

« on: June 25, 2010, 05:13 »

Dear all
 I have calculted the I-V characters of the pn junction.  I know add the (V/2)to the left_probe and add (-V/2) to the other if the two probe are the same. But I doped the different impurities on the two probe and they are different now. I want to know how to add the voltages on both probe.
 Thanks a lot

6

General Questions and Answers / 3D energy band

« on: May 9, 2010, 14:34 »

Dear
I want to get the whole energy band of the bulk, so I have plot the 3D energy band in the First Brillouie Zone. Can it realise in atk ?
 Thank you for your help.

7

Scripts, Tutorials and Applications / Re: Function for calculating Projected Density of States

« on: February 8, 2010, 07:25 »

But I want to fix the 0.001 eV between the two points. Is it impossible?

8

Scripts, Tutorials and Applications / Re: Function for calculating Projected Density of States

« on: February 6, 2010, 13:30 »

Hello Dr. Anders Blom
 I use this script,but I want to get the more precision value of the x-axis(energy), how I modify this script?
Thanks a lot.

9

Scripts, Tutorials and Applications / Re: Function for calculating Projected Density of States

« on: February 5, 2010, 08:01 »

Dear Dr. Anders Blom
 I have used this script, it is a wonderful job. But I don't know the unit of the PDOS. Speak franklly, I didn't know many units of the physical qualities in ATK. Could you guide me?
 Thank you .

10

Installation and License Questions / Re: atk-se

« on: February 1, 2010, 09:20 »

Hello Dr. Anders Blom
I have installed successfully.Thanks for your help.
I want to know whether the atk-SE can calculate the energy-band of the materials adding the period gate-voltage. I mean if the materials can be added the period gate potential in atk-SE.   I scan the manu ,I feel it have no this function. But I am not sure.
Thank you again

11

Installation and License Questions / Re: atk-se

« on: January 31, 2010, 14:13 »

Thank you so patiently guide .I am sorry to trouble you again.
I think I have mastered the installation method. But I met the trouble as follows

Sentinel RMS Development Kit: Error[4]: Failed to figure out the license server correctly.
Set environment variable LSHOST to (colon-separated) name(s) of server(s).
Killed
I  have read the manu .It says the license have expired.Where can I get a new license? Could you send me a new license please?
Thank you very much. My mail is [email protected]

12

Installation and License Questions / Re: atk-se

« on: January 28, 2010, 12:55 »

Oh ,I make a low-level mistake.but I have a new trouble

lxl@lxl-desktop:~$ vnl&
[1] 3022
lxl@lxl-desktop:~$ # License Error: No license for VNL found - If you have a license for VNL, please check that LSHOST is set correctly!
Killed

[1]+  Exit 137                vnl
lxl@lxl-desktop:~$ echo $LSHOST

lxl@lxl-desktop:~$
Sentinel RMS Development Kit: Error[0xc8001001]: Client handle refers to an invalid licensing system context.
Process Process-1:
Traceback (most recent call last):
  File "./build/vnl/lib/python2.6/multiprocessing/process.py", line 231, in _bootstrap
  File "./build/vnl/lib/python2.6/multiprocessing/process.py", line 88, in run
  File "./zipdir/NL/__init__.py", line 109, in monitorFunction
  File "./zipdir/NL/__init__.py", line 135, in kill
OSError: [Errno 3] No such process

Is it a license problem?Is the license  invalid？

13

Installation and License Questions / Re: atk-se

« on: January 28, 2010, 12:03 »

Hi Dr. Anders Blom
I have reinstalled the system ubuntu .Following the manu:

1:lxl@lxl-desktop:~/software/atk-se$ tar zxvf nl.tar.gz
2:vi .bashrc
   export PATH=$PATH:/home/lxl/software/atk-se/nl/nlpython
3:source .bashrc
4:lxl@lxl-desktop:~$ sudo /home/lxl/software/atk-se/nl/license/lserv -s demo_atkse_1030.lic
5:export LSHOST=192.198.1.11(IP address)
6:sudo /home/lxl/software/atk-se/nl/nlpython/bin/configure_for_standalone_license
7:export LSHOST=no-net
export LSERVRC=/home/lxl/software/atk-se/demo_atkse_1030.lic
8:
lxl@lxl-desktop:~$ vnl&
[1] 2858
lxl@lxl-desktop:~$ No command 'vnl' found, did you mean:
 Command 'vl' from package 'atfs' (universe)
 Command 'nl' from package 'coreutils' (main)
vnl: command not found
I don't know where it is wrong.I am looking forward to your help.

14

Installation and License Questions / Re: atk-se

« on: January 27, 2010, 06:05 »

I will  have a try .Thank you very much

15

Installation and License Questions / Re: atk-se

« on: January 26, 2010, 14:49 »

Fedora 6.0