EPW projection related issue

[anindya@iiita]

Dear Experts,
How can I get the exact projection values for my material( i.e proj(1), proj(2) etc). Should I choose proj(1)='random' or Proj(1)='sp2/sp3' any arbitary manner or there is some dedicated procedure to obtain this.Please give me the details of it.I am a beginner in this field and I am facing a lot of difficulties with it.Please help.

Thanks and regards,
Anindya Bose
JRF,IIIT ALLAHABAD

[sponce]

Hello,

There is no automatic procedure. The initial projection should be based on chemical intuition for your specific materials.
For example silicon has sp3 bonds. Therefore it is a good idea to use this as initial projection.

The random projection usually does not work very well based on my experience.

Best wishes,
Samuel