How can I calculate density of states (DOS) for a bulk system?

[hejun8035]

hello, everyone!
   
    Recently, I want to calculate DOS in a bulk system, but this can't obtain in VNL 2008.10.0.

How can I calculate density of states (DOS) for a bulk system?

   Thanks!

[Anders Blom]

This function is implemented in ATK/VNL 10.8 which is available as a beta version right now.

There are also some advanced script solutions that work in 2008.10, but they are much slower and more difficult to use.

[hejun8035]

Thanks!

   These topic are very useful for me, but there still some problems ask for help

   1、I can run the script and obtain the PNG file in windos system, but can' t run in Linux system. while running in Linux there is nothing result. why?(My Linux system is CentOS5.2.)

   2、The calculated DOS including too small data(the peak is too sharp), how can I get more precise.

[zh]

For 2nd problem, you can export the calculated data of DOS and do a Gaussian broadening. Then the DOS curve can be very smooth.

[hejun8035]

Thanks!
 
    How to do a Gaussian broadening? whether delete the "#" in front of Gaussian broadening?