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General Questions and Answers / Re: Iso value and Band gap
« on: May 6, 2014, 15:39 »
Dear Sir,
Thanks a lot.
Thanks a lot.
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2
General Questions and Answers / Iso value and Band gap
« on: May 2, 2014, 15:34 »Dear Sir,
1) In case of plotting Electron difference density along transport direction (in 3D plots), is the ISO value variation(adjustment) dependens on any calculated technical parameters or we can vary as per our wish ?. Please give some details.
2) How to easily extract (or interpret) band gap from rough edges of Conduction and valence bands in case of LDDOS plotted along transport direction.?
Kind Regards
3
General Questions and Answers / Re: Turning off threading in multinode cluster
« on: April 2, 2014, 16:06 »
Dear Sir,
Thanks a lot for your kind advice.
Regards
Thanks a lot for your kind advice.
Regards
4
General Questions and Answers / Turning off threading in multinode cluster
« on: April 1, 2014, 15:22 »
Dear Sir,
To speedup the calculation using ATK in a multi node cluster environment is it necessary to turn off threading?. If it is so, is it to turn off every node in a cluster or turning off only in master node?. waiting for your kind advice.
To speedup the calculation using ATK in a multi node cluster environment is it necessary to turn off threading?. If it is so, is it to turn off every node in a cluster or turning off only in master node?. waiting for your kind advice.
5
Installation and License Questions / How to parallelize two processors on Ubuntu server
« on: August 23, 2013, 14:35 »
Dear Sir,
We installed server with Ubuntu 12.0.4 LTS server package with mpich2. We also installed ATK on server. It is having two processors each with 8 cores. How to make use of two processors with 16 cores. What is the mpi command to run ATK in parallel ?. which client package (like vnc, putty.. ssh..) is better to connect server for accessing ATK from server. Kindly help.
kind Regards
We installed server with Ubuntu 12.0.4 LTS server package with mpich2. We also installed ATK on server. It is having two processors each with 8 cores. How to make use of two processors with 16 cores. What is the mpi command to run ATK in parallel ?. which client package (like vnc, putty.. ssh..) is better to connect server for accessing ATK from server. Kindly help.
kind Regards
6
General Questions and Answers / Re: How to plot Potential energy vs Distance in transport direction plot
« on: August 16, 2013, 08:07 »
Thanks a lot for kind response.
7
General Questions and Answers / How to plot Potential energy vs Distance in transport direction plot
« on: August 13, 2013, 07:44 »
Dear Sir,
To plot Energy Band (gap)profile vs Distance along PN junction(in transport direction) is there any option in VNL?. Or any useful script?. Similarly for LDOS vs Distance.Kindly help.
Kind Regards
To plot Energy Band (gap)profile vs Distance along PN junction(in transport direction) is there any option in VNL?. Or any useful script?. Similarly for LDOS vs Distance.Kindly help.
Kind Regards
8
General Questions and Answers / Re: Is it transvers average transmission or total transmission ?
« on: July 27, 2013, 11:47 »
Thanks a lot for your kind reply.
9
General Questions and Answers / Is it transvers average transmission or total transmission ?
« on: July 11, 2013, 14:52 »
Dear Sir,
I performed transport calculation and obtained transmission spectrum for my 2D sheet(x-z plane) and . The relevant script is as follows.
transmission_spectrum = TransmissionSpectrum(
configuration=device_configuration,
energies=numpy.linspace(-2.0, 2.0,401)*eV,
kpoints=MonkhorstPackGrid(23,1),
energy_zero_parameter=AverageFermiLevel,
infinitesimal=1e-06*Units.eV
)
What kind of transmission is it giving? Is it only Longitudinal transport along Z-direction? or Average transverse transport along X-direction? or Sum of both longitudinal and transverse transport?
2) What modification do I need, If I want to have transmission spectrum or current only in transverse direction?
3) How to get(or combined) total current(sum of longitudinal and transverse)? or total transmission spectrum?
Kind regards
I performed transport calculation and obtained transmission spectrum for my 2D sheet(x-z plane) and . The relevant script is as follows.
transmission_spectrum = TransmissionSpectrum(
configuration=device_configuration,
energies=numpy.linspace(-2.0, 2.0,401)*eV,
kpoints=MonkhorstPackGrid(23,1),
energy_zero_parameter=AverageFermiLevel,
infinitesimal=1e-06*Units.eV
)
What kind of transmission is it giving? Is it only Longitudinal transport along Z-direction? or Average transverse transport along X-direction? or Sum of both longitudinal and transverse transport?
2) What modification do I need, If I want to have transmission spectrum or current only in transverse direction?
3) How to get(or combined) total current(sum of longitudinal and transverse)? or total transmission spectrum?
Kind regards
10
General Questions and Answers / Re: What is the role of energy points in a transmission spectrum?
« on: May 29, 2013, 12:04 »
Thanks a lot for your kind advice.
11
General Questions and Answers / Re: What is the role of energy points in a transmission spectrum?
« on: May 29, 2013, 07:02 »
Dear Sir,
My system is 2D RTD (1T.B-1W-1T.B.). I know that you are expert in that. a) I used (9,9,100)cal.settings for Elect.(P.B.cond.) and Central(PB+Dir.cond.). Are they OK? b) How to increase the k-point sampling (for the transmission funct.) to get smoother curves?. Since my transport is in particular longitudinal direction i used code as below. In this case I didn't use MonK.Grid. then how can I do this?. Kindly give some suggestion.
energies=numpy.linspace(-0.8,0.8,401)*eV,
kpoints=[[0.0,0.0,0.0],[0.0,0.5,0.0]],
kpoints_weights = [1.,2.],
Regards
My system is 2D RTD (1T.B-1W-1T.B.). I know that you are expert in that. a) I used (9,9,100)cal.settings for Elect.(P.B.cond.) and Central(PB+Dir.cond.). Are they OK? b) How to increase the k-point sampling (for the transmission funct.) to get smoother curves?. Since my transport is in particular longitudinal direction i used code as below. In this case I didn't use MonK.Grid. then how can I do this?. Kindly give some suggestion.
energies=numpy.linspace(-0.8,0.8,401)*eV,
kpoints=[[0.0,0.0,0.0],[0.0,0.5,0.0]],
kpoints_weights = [1.,2.],
Regards
12
General Questions and Answers / What is the role of energy points in a transmission spectrum?
« on: May 28, 2013, 15:54 »
Dear Sir,
energies=numpy.linspace(-0.8,0.8,401)*eV,
I plotted transmission Spectra with (infinitesimal=1e-9) different number of energy points in given range in a particular direction but every time only particular peaks are varying. What is the role of increasing and decreasing number of energy points in a given transmission spectrum. As the number of points increasing the peaks also increasing. Where to stop number of points? Which plot is reasonably correct?. Kindly see attached.
regards
energies=numpy.linspace(-0.8,0.8,401)*eV,
I plotted transmission Spectra with (infinitesimal=1e-9) different number of energy points in given range in a particular direction but every time only particular peaks are varying. What is the role of increasing and decreasing number of energy points in a given transmission spectrum. As the number of points increasing the peaks also increasing. Where to stop number of points? Which plot is reasonably correct?. Kindly see attached.
regards
13
General Questions and Answers / Re: How to plot normalized Transmission vs Energy[eV] graph
« on: May 28, 2013, 08:07 »
The maximum magnitude of the plot should be unity. Kindly see model graphs attached.
14
General Questions and Answers / How to plot normalized Transmission vs Energy[eV] graph
« on: May 27, 2013, 15:14 »
Dear Sir,
Is there any option in VNL to plot normalized transmission spectrums?. If not what additional python script do we add to achieve the same?
Regards
Is there any option in VNL to plot normalized transmission spectrums?. If not what additional python script do we add to achieve the same?
Regards
15
General Questions and Answers / Re: How to plot Conductance[2q2/h] vs Energy[eV] graph
« on: May 22, 2013, 15:51 »
Dear Sir,
Thanks a lot for your confirmation.
Regards
Thanks a lot for your confirmation.
Regards
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