Messages

511

Installation and License Questions / Re: problem in running vnl @ ATK 13.8.b1

« on: September 22, 2013, 20:49 »

Dr. A. Blom,
As per the link provided by you.... I went through all the steps...like I found libGL.so.1.2 is there in  /usr/lib64... I tried to link with the command ...
sudo ln -s /usr/lib64/libGL.so.1.2   /usr/lib64/libGL.so  .......... / And, after doing that .... I found 'vnl' is running fine... // Thank you..thank u so very much...

512

Installation and License Questions / Re: problem in running vnl @ ATK 13.8.b1

« on: September 22, 2013, 19:43 »

Thank you sir.... Let me check.... 

513

Installation and License Questions / problem in running vnl @ ATK 13.8.b1

« on: September 21, 2013, 13:37 »

Hi
As I'm trying to install ATK 13.8.b1 in RHEL-6.1 (or, even in 6.3)... It's getting Installed with out any issue... But while I'm trying to run the vnl (after setting the proper path at .bashrc).... I'm facing the problem as denoted bellow.
___________________
Traceback (most recent call last):
  File "./zipdir/NL/GUI/Main/SplashScreen.py", line 94, in run
  File "./zipdir/NL/GUI/MainWindow/MainWindow.py", line 13, in <module>
  File "./zipdir/NL/GUI/Actions/ToolFactory.py", line 8, in <module>
  File "./zipdir/NL/GUI/Tools/OldViewer/OldViewer.py", line 20, in <module>
  File "./zipdir/NL/GUI/Graphics/GL/GLPlotManager.py", line 28, in <module>
  File "./zipdir/NL/GUI/Graphics/GL/GLContourBox.py", line 5, in <module>
  File "./zipdir/NL/GUI/Graphics/GL/GLContour.py", line 20, in <module>
  File "./build/vnl/lib/python2.7/ctypes/__init__.py", line 431, in LoadLibrary
  File "./build/vnl/lib/python2.7/ctypes/__init__.py", line 353, in __init__
OSError: libGL.so: cannot open shared object file: No such file or directory
_______________________________________________________________________

 NB:- On the other hand....instead of ATK 13.8.b1 ..., if I go for installing ATK 12.8...., it is working absolutely fine...  

CAN anybody tell me the reason behind this.....,  and how to get 13.8.b1 installed, properly.....

514

General Questions and Answers / Re: Phonon Dispersion

« on: September 5, 2013, 12:34 »

Thank u Norland... for all those details.../ Bt, again, there will be the question, that how can I use the calculator (as mentioned in your code), called "TersoffCalculator"
_______________________

Error showing in Log:


# ------------------------------------------------------------ #
+------------------------------------------------------------------------------+
|                                                                              |
| Atomistix ToolKit 13.8.b1 [Build a1c2415]                                    |
|                                                                              |
+------------------------------------------------------------------------------+
Traceback (most recent call last):
  File "c:\users\user\appdata\local\temp\0223720281437294.py", line 368, in <module>
    calculator = TersoffCalculator(parameters=Tersoff_CH_2005())
NameError: name 'Tersoff_CH_2005' is not defined
+------------------------------------------------------------------------------+
| NanoLanguageScript execution finished                                        |
+------------------------------------------------------------------------------+
 

515

General Questions and Answers / Re: Phonon Dispersion

« on: September 5, 2013, 06:02 »

Hi all ...  / Can anybody suggest the way out (regarding the problem as described below)...
____________________
Structure: Armchair GNR
Width: 4
C direction repetition: 10
Passivated with: H+
Now, while trying to find out the Phonon Band Structure, with ATK-extended Huckel(K points 1,16,16; Grid Mesh cutoff 10 Hartree), the problem is... It's is not getting converged in the end. Now if  I choose ATK Classical(E0,E1-- 0 eV, 4eV)....then I'm getting the result, but that is not satisfactory at all (Simply  a few straight lines between the G, Z points)

516

General Questions and Answers / Phonon Dispersion

« on: August 26, 2013, 20:55 »

Can anybody help me to find out the phonon dispersion, for any 2D material (e.g., graphene), using vnl 13.8.b1