Search found 5 matches

by wellery
Sun Jul 22, 2018 12:48 am
Forum: Running the code
Topic: B-doped diamond example
Replies: 9
Views: 10006

Re: B-doped diamond example

Dear Dr. Samuel,

Thank you for your swift answer, I will follow the steps indicated by you, as soon as I have some results I will post again.

Best wishes,

Wellery.
by wellery
Fri Jul 20, 2018 12:54 am
Forum: Running the code
Topic: B-doped diamond example
Replies: 9
Views: 10006

Re: B-doped diamond example

Dear EPW users, For this example I'm trying to reproduce Figure 8 (c) from Giustino et al, Phys. Rev. B 76, 165108 (2007). However, when I plot : ibnd jbnd imode 4 4 6 For all q-points in the fine grid, the curve is quite different. I'm using exacly the same parameters as in the original input files ...
by wellery
Tue Apr 24, 2018 12:05 am
Forum: General discussion
Topic: Graphene
Replies: 3
Views: 4787

Re: Graphene

Dear EPW users, I managed to build the input files for a EPW calculation for graphene. However, I'm not so sure about the vertex of the E-P matrix. So, I would like to ask you to check on my algorithm to obain these reulsts. 1st - scf calculation for graphene using a 30x30x1 Monkhorst-Pack-like grid ...
by wellery
Sun Apr 15, 2018 7:50 pm
Forum: General discussion
Topic: Graphene
Replies: 3
Views: 4787

Re: Graphene

Dear Dr. Ponc,

Thanks for the advice ! I will follow these readings !

Best Wishes,

Wellery.
by wellery
Sat Apr 14, 2018 6:00 am
Forum: General discussion
Topic: Graphene
Replies: 3
Views: 4787

Graphene

Dear EPW users,

I'm a very freshman using EPW, does anybody would share the input files needed for a proper calculation usig EPW for graphene? whether someone could share with me some notes about getting started with EPW I would be very thankful.

Best wishes,

Wellery.