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lammps/examples/PACKAGES/eff/ECP
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Axel Kohlmeyer 633ff19ab9 fix up some EFF inputs and create conventional log files
2024-08-12 21:51:59 -04:00
..
Si2H6
fix up some EFF inputs and create conventional log files
2024-08-12 21:51:59 -04:00
SiC/bulk
rename example folders
2021-06-29 11:23:47 -04:00
SiH4
rename example folders
2021-06-29 11:23:47 -04:00
README
rename example folders
2021-06-29 11:23:47 -04:00

README 

Provides an example using effective core pseudopotentials for Si

Structure files provided by Patrick Theofanis (Caltech)