[adhikary]

Dear Scholars,

I am working in AB-Initio calculation and optimization. Presently I intended to study with some of the compound in my mind to find out their electronic band gap. In this case Which software is mostly useful? Is there any free high quality dependable software? Do you have practical idea on it? Is it Linux or Unix based? What about is its visualization tools? If you have idea please suggest me I like to try for it.

Thanks a lot for giving time in advance.

Keshab K Adhikary

[Enthalpy]

Hi Adhikary,

Software is necessary for that goal. I suppose people interested in it had to write their own. One was written at Orsay University (Paris-11) very long ago.

In case you don't know this site, it gives band structures for common semiconductors:
http://www.ioffe.rssi.ru/SVA/NSM/Semicond/Si/index.html