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General Questions and Answers / Re: Equations to calculate deformation potential
« on: March 12, 2018, 20:35 »
Thanks a lot, Daniele.
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General Questions and Answers / Equations to calculate deformation potential
« on: March 9, 2018, 20:22 »
Hello,
What equations (references) are used in ATK to calculate deformation potential in https://docs.quantumwise.com/manuals/Types/DeformationPotential/DeformationPotential.html ? Thank you very much.
What equations (references) are used in ATK to calculate deformation potential in https://docs.quantumwise.com/manuals/Types/DeformationPotential/DeformationPotential.html ? Thank you very much.
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General Questions and Answers / Re: How to solve Bethe Salpeter Equation and calculate electron-hole interactions
« on: May 19, 2016, 03:37 »
Thanks a lot, Dr. Blom.
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General Questions and Answers / How to solve Bethe Salpeter Equation and calculate electron-hole interactions
« on: May 18, 2016, 21:26 »
Dear All,
Does anyone know if ATK can be used to solve Bethe Salpeter Equation or to calculate the electron-hole interactions in carbon nanotubes? If so, how to do it? Thank you very much.
Best wishes,
Ting
Does anyone know if ATK can be used to solve Bethe Salpeter Equation or to calculate the electron-hole interactions in carbon nanotubes? If so, how to do it? Thank you very much.
Best wishes,
Ting
5
General Questions and Answers / Re: Can we use ATK to calculate impact ionization scattering rate of CNT
« on: May 4, 2016, 14:40 »
Thank you very much for your reply.
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General Questions and Answers / Can we use ATK to calculate impact ionization scattering rate of CNT
« on: April 27, 2016, 20:48 »
Dear All,
Can we use ATK to calculate impact ionization scattering rate of carbon nanotubes? Thank you very much.
Attached please find related equations in reference: Perebeinos, V. and P. Avouris, Impact excitation by hot carriers in carbon nanotubes. Physical Review B, 2006. 74(12): p. 121410.
Can we use ATK to calculate impact ionization scattering rate of carbon nanotubes? Thank you very much.
Attached please find related equations in reference: Perebeinos, V. and P. Avouris, Impact excitation by hot carriers in carbon nanotubes. Physical Review B, 2006. 74(12): p. 121410.
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General Questions and Answers / Re: Print results of deformation potential
« on: October 7, 2015, 15:14 »
OK, I see. Thank you very much for your time.
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General Questions and Answers / Re: Print results of deformation potential
« on: October 6, 2015, 23:11 »
Thank you very much for your quick reply. This is a very nice and helpful tutorial. Just what I need.
The deformation potential analyzer is very useful when specifying only one k-point for the initial state. What if I set "kpoint_fractional=MonkhorstPackGrid(5,5,5,force_timereversal=False).kpoints()"? Can I extract the information of deformation potential(D(0) and D(1)) for all the 125 k points at once? Thank you very much.
The deformation potential analyzer is very useful when specifying only one k-point for the initial state. What if I set "kpoint_fractional=MonkhorstPackGrid(5,5,5,force_timereversal=False).kpoints()"? Can I extract the information of deformation potential(D(0) and D(1)) for all the 125 k points at once? Thank you very much.
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General Questions and Answers / Print results of deformation potential
« on: October 6, 2015, 14:46 »
Dear All,
I calculated the deformation potential in graphene following the example at http://www.quantumwise.com/documents/manuals/ATK-2015.beta/ReferenceManual/XHTML/ref.deformationpotential.html, and used nlprint(stream) to print a string containing an ASCII table with deformation potential data of deformation_potential_2 in the example code.
Attached is the results I got. The scaled (|g|) and unscaled (|M|) copuling matrices are listed, but no information about deformation potential, which is the one I need. How can I print the results of deformation potential? Could you please help me? Thank you very much.
I calculated the deformation potential in graphene following the example at http://www.quantumwise.com/documents/manuals/ATK-2015.beta/ReferenceManual/XHTML/ref.deformationpotential.html, and used nlprint(stream) to print a string containing an ASCII table with deformation potential data of deformation_potential_2 in the example code.
Attached is the results I got. The scaled (|g|) and unscaled (|M|) copuling matrices are listed, but no information about deformation potential, which is the one I need. How can I print the results of deformation potential? Could you please help me? Thank you very much.
10
Installation and License Questions / Re: Cannot install VNL-ATK-2015.rc2 in Linux
« on: September 22, 2015, 18:25 »
Dr. Blom,
Just as you said, it is the problem of low space on disk. It can be installed successfully now. Thank you for much for your time. I really appreciate your help.
Just as you said, it is the problem of low space on disk. It can be installed successfully now. Thank you for much for your time. I really appreciate your help.
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Installation and License Questions / Re: Cannot install VNL-ATK-2015.rc2 in Linux
« on: September 22, 2015, 14:13 »
Dr. Blom,
One thing I foget to say is that I'm not insatlling ATK on a local machine. I'm trying to installing it on a machine in our lab remotely by SSH with University at Buffalo VPN. Maybe it relates to my privilege on that machine or the disk problem as you mentioned. I will contact the computer help from the university to check the problem. I will let you know their reply.
And I tried to install ATK on a local machine and it worked fine. Thank you very much for the suggestions.
One thing I foget to say is that I'm not insatlling ATK on a local machine. I'm trying to installing it on a machine in our lab remotely by SSH with University at Buffalo VPN. Maybe it relates to my privilege on that machine or the disk problem as you mentioned. I will contact the computer help from the university to check the problem. I will let you know their reply.
And I tried to install ATK on a local machine and it worked fine. Thank you very much for the suggestions.
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Installation and License Questions / Re: Cannot install VNL-ATK-2015.rc2 in Linux
« on: September 21, 2015, 18:21 »
Dr.Blom,
Thank you for your suggestion, but it still doesn't work. Same error happens. Another thing is that I checked the installation log file and found that it stops at the following line no matter how many times I try to install ATK.
"Unpacking /eng/home/tingyuel/QuantumWise/VNL-ATK-2015.rc2/lib/python2.7/site-packages/tremolox/potentials/EAM/NIST/CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr-Zhou-2004.set"
So will it be some problem with unpacking this package? Thank you very much for your time.
Thank you for your suggestion, but it still doesn't work. Same error happens. Another thing is that I checked the installation log file and found that it stops at the following line no matter how many times I try to install ATK.
"Unpacking /eng/home/tingyuel/QuantumWise/VNL-ATK-2015.rc2/lib/python2.7/site-packages/tremolox/potentials/EAM/NIST/CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr-Zhou-2004.set"
So will it be some problem with unpacking this package? Thank you very much for your time.
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Installation and License Questions / Re: Cannot install VNL-ATK-2015.rc2 in Linux
« on: September 21, 2015, 01:33 »
Hello, Dr. Blom,
I have tried to reinstall for at least four times, but same error happens every time with the same error message (as shown in the screenshot). Do you have any suggestions what I should do? Thank you very much.
I have tried to reinstall for at least four times, but same error happens every time with the same error message (as shown in the screenshot). Do you have any suggestions what I should do? Thank you very much.
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Installation and License Questions / Cannot install VNL-ATK-2015.rc2 in Linux
« on: September 20, 2015, 19:41 »
Hello all,
I try to install VNL-ATK-2015.rc2 in Linux using trial license. It stops with error at 96% of the installation process. Attached please find the installation log file, error file and the screen shot of the error message. Could you please help me with this problem? Thank you very much.
I try to install VNL-ATK-2015.rc2 in Linux using trial license. It stops with error at 96% of the installation process. Attached please find the installation log file, error file and the screen shot of the error message. Could you please help me with this problem? Thank you very much.
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