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Messages - quanta

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1
General Questions and Answers / Re: SQS Alloy
« on: May 20, 2021, 22:57 »
Thank you so much for quick and great answer

2
General Questions and Answers / SQS Alloy
« on: May 16, 2021, 20:11 »
Hello,

Can you help me to use SQS alloy in the builder? Is there any guide to know the parameter that is used to create alloy? Also, How do I know the latest result is the best structure? What is the meaning of corelation function error? Does it need to be close to zero? Thank you.

3
General Questions and Answers / Re: VNL - effective mass
« on: November 27, 2016, 00:16 »
As you exlained in detail, I checked primitive and recipocal vectors in VNL and they are same as you mentioned in the paper. Therefore I am attaching a screenshot. When I put [0.5,0,0] in direction part in effective mass analysis will it be OK and correct?

Thanks in advance

4
General Questions and Answers / Re: VNL - effective mass
« on: November 26, 2016, 15:42 »
Thank you for your reply. I mean that to calculate effective mass in ATK you define point first and then define direction. I am asking second part. My unit cell is orthorhombic and if i want to calculate effective mass for electron I need to be defined a direction in cartesian or fractional. I hope i made it clear.

5
General Questions and Answers / Re: VNL - effective mass
« on: November 26, 2016, 10:46 »
I want to calculate electron and hole effective mass. My VBM and CBM is at Gamma point. The direction is from Gamma point to X point. I confussed about direction in VNL. The Gamma point [0,0,0] and X point [0.5,0,0} are in fractional coordinates. According to this what will be direction in ATK? Can you clarify please?

Thanks

6
Is there any quick tutorial for creating a device from bulk BN?

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