[go: up one dir, main page]
More Web Proxy on the site http://driver.im/
Skip to content

SG15 pseudopotentials in psp8 converted from the upf files

License

Notifications You must be signed in to change notification settings

Mostafa-sh/SG15-ONCV-psp8

Folders and files

NameName
Last commit message
Last commit date

Latest commit

 

History

9 Commits
 
 
 
 
 
 

Repository files navigation

SG15-ONCV-psp8

This repository provides the SG15 Optimized Norm-Conserving Vanderbilt (ONCV) pseudopotentials in the psp8 format obtained by converting the original SG15 pseudopotentials released in the upf format. The direct conversion from upf to psp8 maintains the additional modifications of the SG15 pseudopotentials done after their generation using the ONCVPSP code by D. R. Hamann.

The conversion is done using psp-converter script.

References

[1] M. Schlipf and F. Gygi, Computer Physics Communications 196, 36 (2015). http://dx.doi.org/10.1016/j.cpc.2015.05.011

[2] D. R. Hamann, Phys. Rev. B 88, 085117 (2013). http://link.aps.org/doi/10.1103/PhysRevB.88.085117

About

SG15 pseudopotentials in psp8 converted from the upf files

Topics

Resources

License

Stars

Watchers

Forks

Releases

No releases published

Packages

No packages published