QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: ramkrishna on March 7, 2016, 15:22

Title: unit cell transformation
Post by: ramkrishna on March 7, 2016, 15:22

Dear Sir,
Can you please let me know what is the procedure to transform a unit cell to fractional type (like sqrt(3)xsqrt(3) or sqrt(13)xsqrt(13)) supercell in crystal builder? As for example, how can I transform a regular Silicene unitcell to sqrt(3)xsqrt(3) Silicene unitcell?

Thanks
Ramkrishna

Title: Re: unit cell transformation
Post by: zh on March 9, 2016, 05:44

From the surface reconstruction, you can know how to transform it:
http://www.nanomat-master.eu/pdf/introII.pdf
https://en.wikipedia.org/wiki/Surface_reconstruction