Generated using Andrea Dal Corso code (rrkj3) Author: Andrea Dal Corso Generation date: unknown Info: Pt 1 The Pseudo was generated with a Scalar-Relativistic Calculation 2.60000000000E+00 Local Potential cutoff radius nl pn l occ Rcut Rcut US E pseu 6P 2 1 0.00 2.60000000000 2.60000000000 0.00000000000 5D 3 2 9.00 2.10000000000 2.40000000000 0.00000000000 5D 3 2 0.00 2.10000000000 2.40000000000 0.00000000000 6S 1 0 1.00 2.60000000000 2.60000000000 0.00000000000 0 Version Number Pt Element US Ultrasoft pseudopotential F Nonlinear Core Correction SLA PZ NOGX NOGC PZ Exchange-Correlation functional 10.00000000000 Z valence -52.15108043000 Total energy 0.0000000 0.0000000 Suggested cutoff for wfc and rho 2 Max angular momentum component 1547 Number of points in mesh 2 3 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 5D 2 9.00 6S 0 1.00 1.16907944302E-05 1.18082888676E-05 1.19269641437E-05 1.20468321261E-05 1.21679048018E-05 1.22901942781E-05 1.24137127841E-05 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3.22559497271E+01 3.17114940969E+01 3.11175148822E+01 3.04732662656E+01 2.97781184462E+01 2.90315688556E+01 2.82332536805E+01 2.73829596431E+01 2.64806359631E+01 2.55264064821E+01 2.45205818279E+01 2.34636715799E+01 2.23563963272E+01 2.11996995291E+01 1.99947590670E+01 1.87429983708E+01 1.74460969982E+01 1.61060005357E+01 1.47249296507E+01 1.33053881890E+01 1.18501701047E+01 1.03623650988E+01 8.84536275874E+00 7.30285504365E+00 5.73883692341E+00 4.15760498888E+00 2.56375383856E+00 9.62170088848E-01 -6.41976205697E-01 -2.24324285982E+00 -3.83592977591E+00 -5.41409620003E+00 -6.97158116894E+00 -8.50202722817E+00 -9.99890755004E+00 -1.14555564643E+01 -1.28652034876E+01 -1.42210108090E+01 -1.55161142178E+01 -1.67436674046E+01 -1.78968895124E+01 -1.89691157905E+01 -1.99538511506E+01 -2.08448264041E+01 -2.16360568662E+01 -2.23219030372E+01 -2.28971329801E+01 -2.33569860034E+01 -2.36972372133E+01 -2.39142624811E+01 -2.40051033412E+01 -2.39675313251E+01 -2.38001112194E+01 -2.35022627392E+01 -2.30743200975E+01 -2.25175889956E+01 -2.18344005134E+01 -2.10281614719E+01 -2.01034007810E+01 -1.90658113950E+01 -1.79222874367E+01 -1.66809561452E+01 -1.53512042521E+01 -1.39436984627E+01 -1.24703996653E+01 -1.09445705234E+01 -9.38077608714E+00 -7.79487702374E+00 -6.20401510169E+00 -4.62659051517E+00 -3.08223070472E+00 -1.59175037486E+00 -1.77102575704E-01 1.13867907668E+00 2.33154654295E+00 3.37651086903E+00 4.24772117648E+00 4.91854620547E+00 5.36165425439E+00 5.54908206491E+00 5.45231383291E+00 5.04206491901E+00 4.29061555567E+00 3.14877240874E+00 1.76951677829E+00 1.23504706902E+00 8.96275261976E-01 5.87354831705E-01 3.40184702459E-01 1.61728298588E-01 5.36283722165E-02 7.08993965269E-03 -5.12400339033E-04 -5.04603560922E-04 -4.96738274493E-04 -4.88818978227E-04 -4.80857559191E-04 -4.72865504799E-04 4 Number of nonzero Dij 1 1 6.57672185266E-02 2 2 -2.41117301375E+00 2 3 -2.79108514974E+00 3 3 -3.23463480464E+00 0 nqf. If not zero, Qij's inside rinner are computed using qfcoef's 1 1 1 i j (l(j)) 3.65050057195E-18 Q_int 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 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 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 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 3.05926996576E-38 0.00000000000E+00 0.00000000000E+00 -3.24868067659E-38 0.00000000000E+00 0.00000000000E+00 3.44957082443E-38 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 3.96844137773E-38 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 -4.29904916390E-38 0.00000000000E+00 0.00000000000E+00 -4.56422415905E-38 -4.65605965521E-38 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 0.00000000000E+00 0.00000000000E+00 1.30842623151E-37 0.00000000000E+00 0.00000000000E+00 -1.38947105687E-37 1.41748088320E-37 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 1.56671356446E-37 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 -1.69711996900E-37 0.00000000000E+00 0.00000000000E+00 1.80181243462E-37 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 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 -6.43583157075E-37 0.00000000000E+00 0.00000000000E+00 -6.83623433400E-37 6.97215086831E-37 -7.11357753240E-37 0.00000000000E+00 7.40377770026E-37 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 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 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 0.00000000000E+00 0.00000000000E+00 -7.28365687128E-36 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 -8.89849223572E-36 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 -1.02356170598E-35 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 1.13111943908E-35 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 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 -3.44302295356E-35 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 -3.96024046792E-35 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 -4.37754096246E-35 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 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 0.00000000000E+00 0.00000000000E+00 -1.62735437928E-34 0.00000000000E+00 1.69365226066E-34 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 1.83471158276E-34 -1.87185720425E-34 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 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 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 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 -2.07639322129E-33 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 2.24942598973E-33 0.00000000000E+00 0.00000000000E+00 2.38785220449E-33 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 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 8.36274893039E-33 -8.53126780053E-33 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 1.00118264453E-32 0.00000000000E+00 -1.04210865585E-32 0.00000000000E+00 0.00000000000E+00 -1.10620601181E-32 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 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 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 -4.19611986633E-32 4.28158300762E-32 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 -4.63788004733E-32 0.00000000000E+00 4.82686192312E-32 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 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 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 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 -4.84467677511E-31 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 -5.68534519583E-31 5.80090099249E-31 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 -6.54045809114E-31 0.00000000000E+00 0.00000000000E+00 -6.94682930940E-31 7.08549626540E-31 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 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 2.24486394318E-30 -2.29031588987E-30 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 -2.53067194692E-30 2.58228686943E-30 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 -2.96978397425E-30 0.00000000000E+00 3.09150274673E-30 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 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 1.06095628776E-29 0.00000000000E+00 1.10409711852E-29 0.00000000000E+00 0.00000000000E+00 -1.17250615014E-29 0.00000000000E+00 1.22026921276E-29 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 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 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 -1.13078280383E-28 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 1.24960497768E-28 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 1.58856864789E-28 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 -1.94059782684E-28 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 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 0.00000000000E+00 -7.07213801531E-28 0.00000000000E+00 0.00000000000E+00 -7.50995581770E-28 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 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 0.00000000000E+00 2.73734734112E-27 -2.79177874358E-27 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 -3.08602386122E-27 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 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 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