Generated using Vanderbilt code, version 7 3 6 Author: kfg Generation date: 23 7 2013 Automatically converted from original format 1 The Pseudo was generated with a Scalar-Relativistic Calculation 2.10000000000E+00 Local Potential cutoff radius nl pn l occ Rcut Rcut US E pseu 5S 5 0 2.00 0.00000000000 2.10000000000 -1.11366146700 5P 5 1 4.00 0.00000000000 2.10000000000 -0.43863983200 0 Version Number Te Element US Ultrasoft pseudopotential T Nonlinear Core Correction SLA PW PSX PSC PBEsol Exchange-Correlation functional 6.00000000000 Z valence -26.17593515870 Total energy 0.00000 0.00000 Suggested cutoff for wfc and rho 2 Max angular momentum component 891 Number of points in mesh 2 5 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 5S 0 2.00 5P 1 4.00 0.00000000000E+00 1.10039444928E-09 2.22864551667E-09 3.38545839581E-09 4.57155613242E-09 5.78768007617E-09 7.03459034414E-09 8.31306629582E-09 9.62390702031E-09 1.09679318357E-08 1.23459808013E-08 1.37589152426E-08 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1.46814095195E-05 1.58246791049E-05 1.70569752015E-05 1.83852294111E-05 1.98169134138E-05 2.13600800867E-05 2.30234093292E-05 2.48162568472E-05 2.67487061108E-05 2.88316262085E-05 3.10767314798E-05 3.34966484300E-05 3.61049862679E-05 3.89164129435E-05 4.19467386170E-05 4.52130031806E-05 4.87335727747E-05 5.25282428275E-05 5.66183484230E-05 6.10268856590E-05 6.57786388181E-05 7.09003208575E-05 7.64207227857E-05 8.23708747969E-05 8.87842215972E-05 9.56968082430E-05 1.03147483709E-04 1.11178118076E-04 1.19833836815E-04 1.29163275063E-04 1.39218848367E-04 1.50057047633E-04 1.61738754997E-04 1.74329584167E-04 1.87900249390E-04 2.02526958891E-04 2.18291842990E-04 2.35283412770E-04 2.53597054264E-04 2.73335563422E-04 2.94609718099E-04 3.17538898398E-04 3.42251752540E-04 3.68886914165E-04 3.97593777236E-04 4.28533326754E-04 4.61879037503E-04 4.97817839720E-04 5.36551158405E-04 5.78296036809E-04 6.23286339699E-04 6.71774055062E-04 7.24030692818E-04 7.80348789926E-04 8.41043535210E-04 9.06454512321E-04 9.76947581272E-04 1.05291690191E-03 1.13478710999E-03 1.22301566450E-03 1.31809536605E-03 1.42055707462E-03 1.53097262885E-03 1.64995798737E-03 1.77817661245E-03 1.91634310201E-03 2.06522710321E-03 2.22565751751E-03 2.39852702062E-03 2.58479692874E-03 2.78550241920E-03 3.00175815106E-03 3.23476429990E-03 3.48581304086E-03 3.75629551964E-03 4.04770932790E-03 4.36166654133E-03 4.69990234260E-03 5.06428427436E-03 5.45682217697E-03 5.87967883422E-03 6.33518140245E-03 6.82583365674E-03 7.35432911211E-03 7.92356509082E-03 8.53665776991E-03 9.19695830450E-03 9.90807006902E-03 1.06738670944E-02 1.14985137860E-02 1.23864859695E-02 1.33425933761E-02 1.43720036230E-02 1.54802677789E-02 1.66733476106E-02 1.79576445655E-02 1.93400306130E-02 2.08278809970E-02 2.24291089930E-02 2.41522027648E-02 2.60062643518E-02 2.80010509074E-02 3.01470181992E-02 3.24553664414E-02 3.49380884880E-02 3.76080203710E-02 4.04788942087E-02 4.35653933999E-02 4.68832100438E-02 5.04491044642E-02 5.42809666283E-02 5.83978792611E-02 6.28201823040E-02 6.75695383224E-02 7.26689983686E-02 7.81430676250E-02 8.40177700997E-02 9.03207113903E-02 9.70811383828E-02 1.04329994552E-01 1.12099969138E-01 1.20425538402E-01 1.29342996555E-01 1.38890473698E-01 1.49107937750E-01 1.60037176477E-01 1.71721755617E-01 1.84206947988E-01 1.97539627969E-01 2.11768124916E-01 2.26942027848E-01 2.43111933148E-01 2.60329125436E-01 2.78645180758E-01 2.98111479961E-01 3.18778618306E-01 3.40695696376E-01 3.63909475276E-01 3.88463377798E-01 4.14396315761E-01 4.41741321881E-01 4.70523963918E-01 5.00760517370E-01 5.32455872943E-01 5.65601155419E-01 6.00171031426E-01 6.36120686935E-01 6.73382459014E-01 7.11862113406E-01 7.51434768920E-01 7.91940482236E-01 8.33179524705E-01 8.74907404793E-01 9.16829719208E-01 9.58596952451E-01 9.99799389251E-01 1.03996236038E+00 1.07854210770E+00 1.11492263264E+00 1.14841398221E+00 1.17825252760E+00 1.20360390199E+00 1.22356938117E+00 1.23719660790E+00 1.24349567030E+00 1.24146162960E+00 1.23010463906E+00 1.20848877380E+00 1.17578057173E+00 1.13130802673E+00 1.07463032649E+00 1.00561793679E+00 9.24541638719E-01 8.32167772501E-01 7.29855188862E-01 6.19647243690E-01 5.04349643158E-01 3.87582184575E-01 2.73789714603E-01 1.68195392062E-01 7.66782921354E-02 5.55851177477E-03 -3.87224601338E-02 -5.00286448099E-02 -2.30496788697E-02 4.61252368763E-02 1.61903459390E-01 2.57906330159E-01 3.22203254186E-01 3.48211003097E-01 3.31594348660E-01 2.72642471668E-01 1.79952500936E-01 7.55168653403E-02 6.66306495023E-03 -5.40291184787E-04 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 7 Number of nonzero Dij 1 1 -3.10791569142E+00 1 2 -1.45309682904E+00 2 2 -6.84886698370E+00 3 3 -4.47835489026E+00 3 4 -1.65543719385E+00 4 4 -7.58265802783E+00 5 5 -6.53719533186E+00 6 nqf. If not zero, Qij's inside rinner are computed using qfcoef's 1 1.80000000000E+00 2 1.80000000000E+00 3 1.80000000000E+00 4 1.80000000000E+00 5 1.80000000000E+00 1 1 0 i j (l(j)) -8.29875092345E-01 Q_int 0.00000000000E+00 -5.65228123972E-18 -2.31850999767E-17 -5.35010053447E-17 -9.75562491478E-17 -1.56363727296E-16 -2.30996076809E-16 -3.22588936496E-16 -4.32344379802E-16 -5.61534528812E-16 -7.11505358793E-16 -8.83680703199E-16 -1.07956646955E-15 -1.30075507714E-15 -1.54893012805E-15 -1.82587132369E-15 -2.13345963941E-15 -2.47368277081E-15 -2.84864086564E-15 -3.26055255617E-15 -3.71176130765E-15 -4.20474209913E-15 -4.74210845395E-15 -5.32661983797E-15 -5.96118944457E-15 -6.64889238646E-15 -7.39297431530E-15 -8.19686049141E-15 -9.06416532663E-15 -9.99870242494E-15 -1.10044951466E-14 -1.20857877228E-14 -1.32470569492E-14 -1.44930244885E-14 -1.58286698132E-14 -1.72592438222E-14 -1.87902831647E-14 -2.04276253099E-14 -2.21774243993E-14 -2.40461679229E-14 -2.60406942612E-14 -2.81682111384E-14 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