DFTB: Performance improvement

The code has been revised and improved for speed and memory occupation. Parallelization and use of pseudo-diagonalization techniques allow a relevant speed up. Available physical memory constraints the size of the systems that can be analyzed.

SCM Home Page
Quality Software. Quantum Science
*
*
Copyright Terms of UsePrivacy Policy
Home Products Try & Buy Downloads Documentation Support News About SCM Contact
Home     Products     Try & Buy     Downloads     Documentation     Support     News     About SCM     Contact