Generated using Vanderbilt code, version 7 0 0 Author: unknown Generation date: 0 0 0 Automatically converted from original format 1 The Pseudo was generated with a Scalar-Relativistic Calculation 1.80000000000E+00 Local Potential cutoff radius nl pn l occ Rcut Rcut US E pseu 3S 3 0 2.00 10.00000000000 1.80000000000 -4.60399178600 3P 3 1 6.00 10.00000000000 1.80000000000 -2.85456905400 3D 3 2 2.00 10.00000000000 2.00000000000 -0.31756663400 4S 4 0 2.00 10.00000000000 1.80000000000 -0.33129598600 4P 4 1 0.00 10.00000000000 1.80000000000 -0.11046090200 0 Version Number Ti Element US Ultrasoft pseudopotential T Nonlinear Core Correction SLA PW GGX GGC PW91 Exchange-Correlation functional 12.00000000000 Z valence -116.60546171300 Total energy 0.0000000 0.0000000 Suggested cutoff for wfc and rho 2 Max angular momentum component 925 Number of points in mesh 5 6 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 3S 0 2.00 3P 1 6.00 3D 2 2.00 4S 0 2.00 4P 1 0.00 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1.14413139460E+00 1.24383242756E+00 1.31926414526E+00 1.35909152781E+00 1.34902194916E+00 1.27157639605E+00 1.10615818847E+00 9.17862902241E-01 8.72763462296E-01 7.59790038505E-01 5.79232228250E-01 3.49689006181E-01 1.21360020904E-01 2.70233512286E-03 -5.68138003705E-04 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 9 Number of nonzero Dij 1 1 -1.92154048525E+00 1 2 6.17365407495E-01 2 2 3.19608252249E-01 3 3 1.85075976788E+00 3 4 -4.37378045988E+00 4 4 6.08892571116E+00 5 5 7.41941238184E+00 5 6 -1.53018881572E+01 6 6 3.09803893488E+01 8 nqf. If not zero, Qij's inside rinner are computed using qfcoef's 1 1.20000000000E+00 2 1.20000000000E+00 3 1.20000000000E+00 4 1.20000000000E+00 5 1.20000000000E+00 1 1 0 i j (l(j)) -6.96273696503E-02 Q_int 0.00000000000E+00 -2.57818942342E-12 -1.04868055233E-11 -2.39946399564E-11 -4.33810760139E-11 -6.89364725143E-11 -1.00962561127E-10 -1.39772857590E-10 -1.85693087294E-10 -2.39061625737E-10 -3.00229954353E-10 -3.69563132243E-10 -4.47440284362E-10 -5.34255106720E-10 -6.30416389187E-10 -7.36348556504E-10 -8.52492228122E-10 -9.79304797527E-10 -1.11726103171E-09 -1.26685369145E-09 -1.42859417322E-09 -1.60301317330E-09 -1.79066137499E-09 -1.99211015970E-09 -2.20795234262E-09 -2.43880293403E-09 -2.68529992685E-09 -2.94810511161E-09 -3.22790491953E-09 -3.52541129490E-09 -3.84136259760E-09 -4.17652453680E-09 -4.53169113703E-09 -4.90768573765E-09 -5.30536202678E-09 -5.72560511103E-09 -6.16933262220E-09 -6.63749586208E-09 -7.13108098688E-09 -7.65111023247E-09 -8.19864318191E-09 -8.77477807671E-09 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