Hello,
Does anyone know what criteria were used to choose the cutoff radii and the core
correction parameter for the carbon pseudopotential found on the SIESTA website?
--
pe C
tm2 2.0
C pb
0.0 0.0 0.0 0.0 0.0 0.0
1 4
2 0 2.00 0.00
2 1 2.00 0.00
3 2 0.00 0.00
4 3 0.00 0.00
1.25 1.25 1.25 1.25 0.00 1.50
--
Thank you,
Kevin Christ
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Kevin Vincent Christ
ITAMP
Harvard - Smithsonian Center for Astrophysics
60 Garden Street
Cambridge, MA 02138
Telephone : 617-495-7239
email : [EMAIL PROTECTED]
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