Thick-Restart Lanczos Method for Electronic StructureCalculations
This paper describes two recent innovations related to the classic Lanczos method for eigen- value problems, namely the thick-restart technique and dynamic restarting schemes. Combining these two new techniques we are able to implement an efficient eigenvalue problem solver. This paper will demonstrate its effectiveness on one particular class of problems for which this method is well suited: linear eigenvalue problems generated from non-selfconsistent electronic structure calculations.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC)
- DOE Contract Number:
- AC03-76SF00098
- OSTI ID:
- 7371
- Report Number(s):
- LBNL-42917; ON: DE00007371
- Country of Publication:
- United States
- Language:
- English
Similar Records
Thick-restart Lanczos method for electronic structure calculations
Adaptive Projection Subspace Dimension for the Thick-Restart Lanczos Method
Dynamic Restarting Schemes for Eigenvalue Problems
Journal Article
·
Wed Sep 01 00:00:00 EDT 1999
· Journal of Computational Physics
·
OSTI ID:7371
+1 more
Adaptive Projection Subspace Dimension for the Thick-Restart Lanczos Method
Journal Article
·
Wed Oct 01 00:00:00 EDT 2008
· ACM Transactions on Mathematical Software
·
OSTI ID:7371
+2 more
Dynamic Restarting Schemes for Eigenvalue Problems
Technical Report
·
Wed Mar 10 00:00:00 EST 1999
·
OSTI ID:7371