Developing a Parallel Blochl Code
EMSL Project ID
1918
Abstract
This project will develop a massively parallel version of Bloch's PAW method. PAW is an all-electron method that combines the adaptability of linear augmented plane wave methods with the computational advatages of Car-Parrinello methods. The advantage of PAW over other pseuopotential plane-wave methods lies in the accuracy with which first-row transition metal elements can be treated.M. Valiev has already developed a serial PAW code, and he is working with E.J. Bylaska to develop a massively parallel version of it.
Project Details
Project type
Exploratory Research
Start Date
2000-02-14
End Date
2000-03-06
Status
Closed
Released Data Link
Team
Principal Investigator