QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: marmotte on October 9, 2012, 23:08

Title: amorphous porous Silicon
Post by: marmotte on October 9, 2012, 23:08

Dear all,

Is it possible to construct a unit cell of an amorphous porous Silicon using ATK ?

I will appreciate suuggestions/help

Best regards,

Title: Re: amorphous porous Silicon
Post by: zh on October 10, 2012, 01:05

It is impossible to construct an amorphous porous silicon simply using the "Builder" tool, because such system does not have periodic condition and  well-defined structure. A feasible way is to run a melting-quench procedure of molecular dynamics.