QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: jjhskang on December 16, 2009, 23:12

Title: the bulk density of states (DOS) for 1D system?
Post by: jjhskang on December 16, 2009, 23:12

Hi!

Do you have a script to calculate 1-dimensional bulk density of states (DOS)? I find that you've written a script for 3D DOS, but not for 1D.

Thanks!

Title: Re: the bulk density of states (DOS) for 1D system?
Post by: zh on December 17, 2009, 04:00

The script for the DOS of 3D is also suitable for the 1D with slight modification. The difference between them is just the setup for the k-point sampling.

Title: Re: the bulk density of states (DOS) for 1D system?
Post by: Anders Blom on December 17, 2009, 18:29

See http://quantumwise.com/forum/index.php?topic=261.msg1512#msg1512

Title: Re: the bulk density of states (DOS) for 1D system?
Post by: jjhskang on December 19, 2009, 19:43

For your link shown above for 1D DOS calculation , I have two questions.

1) Do I need to calculated band structure in advance ?
2) Where can I find the script "dos1d.py"? I cannot find it.

Thanks!

Title: Re: the bulk density of states (DOS) for 1D system?
Post by: Anders Blom on December 19, 2009, 22:55

1. No.
2. At the link just given above.