QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: njuxyh on May 9, 2014, 19:40

Title: the cell vector and atom position in the datebase of VNL are experimental values
Post by: njuxyh on May 9, 2014, 19:40

Hi All :

i want to know the cell vector and the positions of atoms are experimental values or just a theoretical values?

i need your help!

thanks very much!

Title: Re: the cell vector and atom position in the datebase of VNL are experimental values
Post by: Anders Blom on May 10, 2014, 04:52

Each structure in the database has a reference, listed in the text box - you can check the source data there. Mostly they are experimental.

Title: Re: the cell vector and atom position in the datebase of VNL are experimental values
Post by: njuxyh on May 11, 2014, 19:09

OK, THANK YOU VERY MUCH.