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Topics - dhurba

Pages: [1]
1
when i try to run a script using

Code
mpiexec -n 2 -machinefile mymachinefile $ATK_BIN_DIR/atkpython script.py > script.log

it asks for password every time and of all the three other machines.

is there any way to disable the password .i am using a redhat cluster

2
Installation and License Questions / no license server found
« on: July 10, 2012, 12:49 »
Hi i have connected 4 servers(1 is the master  where the license is installed)  using procedure given in the Parallel Guide tutorial.we have used mpich2.

now when we use the command mpdtrace , it gives "command not found" .

Also the command lmxendutil -licstat shows that there is no license server available..

3
I am running ATK in a 8 core server ..now three other server has come to my lab all are 8 cores ie total of 32 cores...

my license are

[2011-12-19 16:43:10] atksemaster (v11.Cool (1 license(s)) license type: exclusive
[2011-12-19 16:43:10] atkseslave (v11.Cool (3 license(s)) license type: exclusive
[2011-12-19 16:43:10] vnl (v11.Cool (1 license(s)) license type: exclusive

Is it possible to use all the four servers to full potential. what is core based license and workstation based license

doesn't 3 slave license can accommodate 3 servers ..or other extra license is required..

4
How to vary both Gate voltage and Bias Voltage self consistently for CNT ?

5
General Questions and Answers / wrap around gate
« on: May 10, 2012, 08:56 »
How to make a Wrap around gate (co axial with CNT) in ATK 11.8 ?

6
using the following parameters we got two different curves at 300K and 100K
tolerance=1e-05
history steps =20

the curve exhibits NDR at 300K but not at 100K ..which will be most relevant result  .

7
1> Can we find the variation of the I-V curve with respect to the electron temperature from the Analyzer (ie changing the temp in the analyzer )
 

2> and also is there any difference between electron temp and electrode temp ?

8
General Questions and Answers / evanescent mode
« on: March 13, 2012, 12:06 »
Which function in ATK analysis will give best picture of evanescent mode/field in Carbon nano tubes ?

9
General Questions and Answers / Error ---:Path not found
« on: December 31, 2011, 10:23 »
+------------------------------------------------------------------------------+
| NanoLanguageScript execution started                                         |
+------------------------------------------------------------------------------+
+------------------------------------------------------------------------------+
|                                                                              |
| Atomistix ToolKit 11.8.0 [Build 308f600]                                     |
|                                                                              |
+------------------------------------------------------------------------------+
Traceback (most recent call last):
  File "/tmp/4850306596851799.py", line 8, in <module>
    configurations = nlread(scf_filename, DeviceConfiguration)  
  File "./zipdir/NL/IO/NLSaveUtilities.py", line 219, in nlread
NL.ComputerScienceUtilities.Exceptions.NLValueError: The filename, IV_CURVE_and_voltagedrop.nc, was not found - please check correct path and name.
+------------------------------------------------------------------------------+
| NanoLanguageScript execution finished                                        |
+------------------------------------------------------------------------------+



I am getting the above error repeatedly even if i do it as shown in the tutorial.

http://quantumwise.com/publications/tutorials/mini-tutorials/98-i-v-curve-and-voltage-drop

10
I tried to create a structure shown in the paper below (Fig 1 and 2) in the ATK builder by inserting Aluminum atom in the CNT(8,0)
How do i correct  the bonds of carbon -Aluminum and the Overall Structure ??? Can the bond lengths can be corrected by running the "optimize " tool in the scripter and using EHT . Also do we Need extra packages or add-ons/tools to create that structure easily....
 
A Comprehensive Atomic Study of Carbon Nanotube Schottky Diode Using First Principles Approach
Ping Bai,   Kai Tak Lam,   Erping Li ,  Chang, K.K .


11
General Questions and Answers / Armchair Nanoribbon to CNT
« on: December 14, 2011, 13:22 »
Hi ..In the Quantum wise Tutorial its Mentioned that ..Armchair Graphene nanoribbons shows Semiconductor property only and ziz-zag shows metallic...But I read Somewhere that semiconducting or metallic property of a Armchair nanoribbon depends on the Width of the ribbon....So that we can get a "metal" or a "semiconductor" by adjusting the width...Please help .

Another thing...Suppose we get a armchair nano-ribbon((sheet) as semiconductor by computing the band structure in VNL...Now suppose if we roll the sheet will we get a Ziz-zag carbon nano-tube with the same semiconducting property or it will be metallic and vice Versa .??? :-[

So basically i want to Fully understand the relation between Graphene nano-ribbon(GNR) and Carbon Nano-tube and and how to roll and unroll them  ....and how their electronic properties affects .............


Sorry for the newbie questions but i really need to know this things ..

12
Hi...when i try to replace the old license with the new one(By copying) into the directory opt/Quantumwise in Redhat Linux i get the following error "Access denied " .

Please help

13
Please give me directions on  how to Study a Metal-Semiconductor (metal-nanotube) Interface for a Schottky diode in ATK..

Thanks

14
How to calculate the channel length of the graphene junction given under buliders->custom->vnl in ATK 11.8 v ?

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