Generated using Andrea Dal Corso code (rrkj3) Author: Andrea Dal Corso Generation date: unknown Info: O PBE 2s2 2p4 RRKJ3 US 1 The Pseudo was generated with a Scalar-Relativistic Calculation 1.40000000000E+00 Local Potential cutoff radius nl pn l occ Rcut Rcut US E pseu 2S 1 0 2.00 1.40000000000 1.60000000000 0.00000000000 2S 1 0 0.00 1.40000000000 1.60000000000 0.00000000000 2P 2 1 4.00 1.40000000000 1.60000000000 0.00000000000 2P 2 1 0.00 1.40000000000 1.60000000000 0.00000000000 3D 3 2 -2.00 1.40000000000 1.40000000000 0.00000000000 0 Version Number O Element US Ultrasoft pseudopotential F Nonlinear Core Correction SLA PW PBE PBE PBE Exchange-Correlation functional 6.00000000000 Z valence -31.39526325800 Total energy 0.0000000 0.0000000 Suggested cutoff for wfc and rho 2 Max angular momentum component 1269 Number of points in mesh 2 4 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 2S 0 2.00 2P 1 4.00 3.09844022083E-04 3.12958006275E-04 3.16103286529E-04 3.19280177374E-04 3.22488996503E-04 3.25730064801E-04 3.29003706377E-04 3.32310248597E-04 3.35650022119E-04 3.39023360923E-04 3.42430602346E-04 3.45872087114E-04 3.49348159380E-04 3.52859166752E-04 3.56405460335E-04 3.59987394761E-04 3.63605328227E-04 3.67259622528E-04 3.70950643098E-04 3.74678759041E-04 3.78444343172E-04 3.82247772053E-04 3.86089426030E-04 3.89969689271E-04 3.93888949806E-04 3.97847599564E-04 4.01846034413E-04 4.05884654201E-04 4.09963862793E-04 4.14084068112E-04 4.18245682184E-04 4.22449121172E-04 4.26694805424E-04 4.30983159513E-04 4.35314612276E-04 4.39689596864E-04 4.44108550778E-04 4.48571915916E-04 4.53080138621E-04 4.57633669716E-04 4.62232964560E-04 4.66878483086E-04 4.71570689849E-04 4.76310054074E-04 4.81097049701E-04 4.85932155435E-04 4.90815854788E-04 4.95748636136E-04 5.00730992761E-04 5.05763422903E-04 5.10846429808E-04 5.15980521782E-04 5.21166212238E-04 5.26404019750E-04 5.31694468102E-04 5.37038086344E-04 5.42435408842E-04 5.47886975334E-04 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