How to iterate the wave function when calculating GW
Posted: Thu Aug 25, 2022 5:01 pm
Dear Daniele:
Recently,I have new a new question after I read some paper about the GW calculation.Generally speaking, when we calculate the GW, we use KS state to approximate and replace the wave function, which does not cause great difference. However, when we study special problems, I saw that yambo introduced the iteration of eigenvalue when calculating GW, but how to make the eigenvalue and wave function iterate when calculating GW. The main reason is that I haven't found a method to calculate the iterative wave function of GW, which is what I am confused about at present. Could you give me some help?
Best wishes
Quxiao
Recently,I have new a new question after I read some paper about the GW calculation.Generally speaking, when we calculate the GW, we use KS state to approximate and replace the wave function, which does not cause great difference. However, when we study special problems, I saw that yambo introduced the iteration of eigenvalue when calculating GW, but how to make the eigenvalue and wave function iterate when calculating GW. The main reason is that I haven't found a method to calculate the iterative wave function of GW, which is what I am confused about at present. Could you give me some help?
Best wishes
Quxiao