QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: skg on February 15, 2015, 10:55

Title: Regarding Polarization
Post by: skg on February 15, 2015, 10:55

Dear Sir,
We have tried to reproduce the polarization results for BaTiO3, but not succeed. Please comment!
Thanks

Moderator edit: Fixed typo in subject

Title: Re: Regarding Polarization
Post by: Anders Blom on February 15, 2015, 11:36

Since you have provided no information, my only comment can be that probably you did something incorrect.

Title: Re: Regarding Polarization
Post by: skg on February 16, 2015, 06:32

Dear Sir,
Thanks for replying our query. We are attaching  script and output for your reference. Please respond at your convenience.
Thanks.

Title: Re: Regarding Polarization
Post by: Anders Blom on February 16, 2015, 09:07

I don't see the problem, the results seem to match the tutorial http://quantumwise.com/documents/tutorials/latest/Polarization/index.html/ well