Skip to content

dav_def_max_size parameter #141

Answered by hczhai
cfengno1 asked this question in Q&A
Nov 19, 2024 · 1 comments · 3 replies
Discussion options

You must be logged in to vote

In the standard setup of the algorithm for the lowest eigenstate ... the deflation is not mentioned.

block2::IterativeMatrixFunctions::davidson implements the Davidson algorithm (for the standard eigenvalue problem "Hc=Ec") described in the link https://gqcg-res.github.io/knowdes/the-davidson-diagonalization-method.html and Davidson's 1975 paper, and the last paragraph in the link "In case the dimension of the subspace matrix is getting too big..." explains the deflation/restart process. dav_def_max_size is the "predetermined maximum subspace dimension".

I notice that you use the name "generalized Davidson algorithm"

The block2::IterativeMatrixFunctions::davidson_generalized implement…

Replies: 1 comment 3 replies

Comment options

You must be logged in to vote
3 replies
@cfengno1
Comment options

@hczhai
Comment options

Answer selected by cfengno1
@cfengno1
Comment options

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Category
Q&A
Labels
None yet
2 participants