Generated using Vanderbilt code, version 7 3 5 Author: unknown Generation date: 20 6 2004 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 4S 4 0 2.00 10.00000000000 1.80000000000 -4.00953373871 4P 4 1 6.00 10.00000000000 2.00000000000 -2.38883147410 4D 4 2 2.00 10.00000000000 2.20000000000 -0.26760291799 5S 5 0 2.00 10.00000000000 1.80000000000 -0.32959212937 5P 5 1 0.00 10.00000000000 2.00000000000 -0.11070311584 0 Version Number Zr Element US Ultrasoft pseudopotential T Nonlinear Core Correction SLA PW GGX GGC PW91 Exchange-Correlation functional 12.00000000000 Z valence -98.74002939389 Total energy 0.0000000 0.0000000 Suggested cutoff for wfc and rho 2 Max angular momentum component 887 Number of points in mesh 5 6 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 4S 0 2.00 4P 1 6.00 4D 2 2.00 5S 0 2.00 5P 1 0.00 0.00000000000E+00 1.05927022700E-06 2.13664720020E-06 3.23244042915E-06 4.34696471405E-06 5.48054023615E-06 6.63349264977E-06 7.80615317582E-06 8.99885869699E-06 1.02119518545E-05 1.14457811465E-05 1.27007010283E-05 1.39770720141E-05 1.52752607806E-05 1.65956402723E-05 1.79385898086E-05 1.93044951931E-05 2.06937488238E-05 2.21067498065E-05 2.35439040689E-05 2.50056244778E-05 2.64923309570E-05 2.80044506087E-05 2.95424178355E-05 3.11066744655E-05 3.26976698796E-05 3.43158611399E-05 3.59617131214E-05 3.76356986456E-05 3.93382986160E-05 4.10700021568E-05 4.28313067528E-05 4.46227183928E-05 4.64447517147E-05 4.82979301533E-05 5.01827860910E-05 5.20998610105E-05 5.40497056502E-05 5.60328801628E-05 5.80499542759E-05 6.01015074559E-05 6.21881290744E-05 6.43104185773E-05 6.64689856574E-05 6.86644504292E-05 7.08974436073E-05 7.31686066873E-05 7.54785921305E-05 7.78280635510E-05 8.02176959065E-05 8.26481756922E-05 8.51202011377E-05 8.76344824082E-05 9.01917418081E-05 9.27927139885E-05 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