76
General Questions and Answers / Re: conductance of molecular devices
« on: January 16, 2012, 13:07 »
I have core 2 duo processor 2.60 GHz and 6 GB RAM. Is it sufficient??
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77
General Questions and Answers / Re: conductance of molecular devices
« on: January 16, 2012, 12:31 »
Kindly tell me how much memory is required for simulating the I-V characteristic script (page 20, ATK manual for molecular devices)
Thanks in advance!
Thanks in advance!
78
General Questions and Answers / Re: conductance of molecular devices
« on: January 12, 2012, 15:59 »
Is this possible to attached NC file with this mail if not then i'll try to send it by http://letscrate.com
One more thing i want to know second time when i run the same script it shows
"This application has requested the Runtime to terminate it in an unusual way.
Please contact the application's support team for more information"
What does it mean and what is its solution
I attached the second failure script with this mail
One more thing i want to know second time when i run the same script it shows
"This application has requested the Runtime to terminate it in an unusual way.
Please contact the application's support team for more information"
What does it mean and what is its solution
I attached the second failure script with this mail
79
General Questions and Answers / Re: conductance of molecular devices
« on: January 11, 2012, 13:20 »
Sir i am running only one script at a time
80
General Questions and Answers / Re: conductance of molecular devices
« on: January 10, 2012, 18:37 »
Sir you wrote in the manual (chapter 4 of ATK manual of molecular devices) that it will take overnight to run it (if not use parallel system) but our script finishes within 5 minutes and job manager showing script is failed.
so when i drop NC file by selecting analyzer to calculate I-V curve, it only shows a point.
Probably the reason for that the given script is unable to calculate current @ different voltages (if the loop is not working well)
so what changes i should take in the script??
Please help!
so when i drop NC file by selecting analyzer to calculate I-V curve, it only shows a point.
Probably the reason for that the given script is unable to calculate current @ different voltages (if the loop is not working well)
so what changes i should take in the script??
Please help!
81
General Questions and Answers / Re: conductance of molecular devices
« on: January 10, 2012, 12:39 »
Thank you sir. It solved the problem.
Also in the same tutorial (chapter 4) when i run the script, a self-consistent calculation to calculate I-V curve characteristics, the script is failed. why?
what is the solution for that?
What changes i should make in the script?
The failed log file is attached with this mail.
Also in the same tutorial (chapter 4) when i run the script, a self-consistent calculation to calculate I-V curve characteristics, the script is failed. why?
what is the solution for that?
What changes i should make in the script?
The failed log file is attached with this mail.
82
General Questions and Answers / Re: conductance of molecular devices
« on: January 9, 2012, 14:20 »
Thanx alot Sir.
As in your tutorial for molecular devices (Chapter 3), our calculation does not showing carbon, gold, hydrogen, sulphur in projection selector while calculating MPSH states. why it is so?
So how i should proceed further for calculating eigen states because our log file does not showing energy values like your manual log file.
As in your tutorial for molecular devices (Chapter 3), our calculation does not showing carbon, gold, hydrogen, sulphur in projection selector while calculating MPSH states. why it is so?
So how i should proceed further for calculating eigen states because our log file does not showing energy values like your manual log file.
83
General Questions and Answers / conductance of molecular devices
« on: January 6, 2012, 19:33 »
Hello all
Can you please tell me how we can find the value of conductance 'G' and HOMO, LUMO by calculating transmission spectra of molecular devices
Huang
Can you please tell me how we can find the value of conductance 'G' and HOMO, LUMO by calculating transmission spectra of molecular devices
Huang
84
General Questions and Answers / how to draw I-V curve of graphene nanoribbon
« on: July 11, 2011, 13:27 »
Hello Sir,
I am using ATK 11.2.3 to calculate the I-V curve of zigzag graphene nanoribbon. I have already caculated the transmission spectrum of the same. But when I use ATK custom analyser to draw I-V curve (after drag and drop NC file onto the NC file drop), log file stops after writing transmission spectrum in the analyser and do not show any I-V curve. Please help me what procedure and script I should use to draw the I-V curve.
Also tell me how much approximate time it will take to draw
Please help!
Regards!
Sweta
I am using ATK 11.2.3 to calculate the I-V curve of zigzag graphene nanoribbon. I have already caculated the transmission spectrum of the same. But when I use ATK custom analyser to draw I-V curve (after drag and drop NC file onto the NC file drop), log file stops after writing transmission spectrum in the analyser and do not show any I-V curve. Please help me what procedure and script I should use to draw the I-V curve.
Also tell me how much approximate time it will take to draw
Please help!
Regards!
Sweta