computer resources optimization, LMTO ab-initio package, solid-state physics simulations
OWN
The computer resources needed to run the TB LMTO code have been reduced using a genetic algorithm in computations of the total energy requiring the interactive user-dependent mode. A computer program has been developed to search for the total energy minima and perform calculations in the background. The number of runs and output files is determined by the size of population and not by the number of scans of the configuration space.
computer resources optimization, LMTO ab-initio package, solid-state physics simulations
Poznań
Kamieniarz G.
eng
application/pdf
2006.12.11
Sobczak P.
artykuł