Implementation of LDA+DMFT with pseudo-potential-plane-wave method

Details Implementation of LDA+DMFT with pseudo-potential-plane-wave method Implementation of LDA+DMFT with pseudo-potential-plane-wave method

2011-11-09

arxiv.org/abs/1111.2157v2

Physics

Condensed Matter

Strongly Correlated Electrons

Scientific paper

In this paper, we propose an efficient implementation of combining Dynamical Mean field theory (DMFT) with electronic structure calculation based on the local density approximation (LDA). The pseudo-potential-plane-wave method is used in the LDA part, which makes it possible to be applied to large systems. The full loop self consistency of the charge density has been reached in our implementation which allows us to compute the total energy related properties. The procedure of LDA+DMFT is introduced in detail with a complete flow chart. We have also applied our code to study the electronic structure of several typical strong correlated materials, including Cerium, Americium and NiO. Our results fit quite well with both the experimental data and previous studies.

Affiliated with

Also associated with

No associations

Rating

Implementation of LDA+DMFT with pseudo-potential-plane-wave method does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Implementation of LDA+DMFT with pseudo-potential-plane-wave method, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Implementation of LDA+DMFT with pseudo-potential-plane-wave method will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-42359