Generated using Vanderbilt code, version 7 3 6 Author: kfg Generation date: 22 9 15 Automatically converted from original format 0 The Pseudo was generated with a Non-Relativistic Calculation 1.40000000000E+00 Local Potential cutoff radius nl pn l occ Rcut Rcut US E pseu 1S 1 0 2.00 0.00000000000 1.30000000000 -4.02898406800 2S 2 0 0.55 0.00000000000 1.30000000000 -0.36774990000 2P 2 1 0.00 0.00000000000 2.00100000000 -0.22337158300 0 Version Number Li Element US Ultrasoft pseudopotential F Nonlinear Core Correction SLA PW PSX PSC PBEsol Exchange-Correlation functional 3.00000000000 Z valence -14.09644892770 Total energy 0.00000 0.00000 Suggested cutoff for wfc and rho 1 Max angular momentum component 751 Number of points in mesh 3 5 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 1S 0 2.00 2S 0 0.55 2P 1 0.00 0.00000000000E+00 5.10846319546E-06 1.03027809112E-05 1.55843960465E-05 2.09547757508E-05 2.64154118307E-05 3.19678211647E-05 3.76135461243E-05 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-1.17954522128E+00 -1.11477325320E+00 -1.03417389428E+00 -9.37761808759E-01 -8.26222356614E-01 -7.01298480149E-01 -5.66282556647E-01 -4.26513703270E-01 -2.89702148719E-01 -1.65946118663E-01 -6.74680081898E-02 -9.15142475738E-03 2.01493698760E-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 9 Number of nonzero Dij 1 1 2.67617503256E+01 1 2 -2.03438969855E+01 1 3 5.20329651892E+01 2 2 8.52004468366E+00 2 3 -3.59803292340E+01 3 3 9.12583094546E+01 4 4 1.29692836789E+01 4 5 1.23601948985E+01 5 5 1.17248894043E+01 10 nqf. If not zero, Qij's inside rinner are computed using qfcoef's 1 1.15000000000E+00 2 1.15000000000E+00 3 1.15000000000E+00 1 1 0 i j (l(j)) 4.30583981379E+00 Q_int 0.00000000000E+00 4.22250815081E-09 1.71750847228E-08 3.92979514039E-08 7.10486766342E-08 1.12902804335E-07 1.65354504636E-07 2.28917247351E-07 3.04124498994E-07 3.91530444138E-07 4.91710731957E-07 6.05263248815E-07 7.32808917800E-07 8.74992526130E-07 1.03248358138E-06 1.20597719753E-06 1.39619501187E-06 1.60388613376E-06 1.82982812645E-06 2.07482802296E-06 2.33972337733E-06 2.62538335230E-06 2.93270984485E-06 3.26263865067E-06 3.61614066916E-06 3.99422315013E-06 4.39793098371E-06 4.82834803501E-06 5.28659852493E-06 5.77384845885E-06 6.29130710472E-06 6.84022852230E-06 7.42191314529E-06 8.03770941813E-06 8.68901548947E-06 9.37728096398E-06 1.01040087149E-05 1.08707567588E-05 1.16791401955E-05 1.25308332148E-05 1.34275711720E-05 1.43711527355E-05 1.53634421085E-05 1.64063713267E-05 1.75019426357E-05 1.86522309502E-05 1.98593863976E-05 2.11256369493E-05 2.24532911430E-05 2.38447408978E-05 2.53024644270E-05 2.68290292506E-05 2.84270953113E-05 3.00994181981E-05 3.18488524802E-05 3.36783551555E-05 3.55909892177E-05 3.75899273463E-05 3.96784557223E-05 4.18599779755E-05 4.41380192676E-05 4.65162305147E-05 4.89983927548E-05 5.15884216658E-05 5.42903722372E-05 5.71084436031E-05 6.00469840402E-05 6.31104961373E-05 6.63036421419E-05 6.96312494899E-05 7.30983165247E-05 7.67100184125E-05 8.04717132595E-05 8.43889484387E-05 8.84674671339E-05 9.27132151066E-05 9.71323476952E-05 1.01731237053E-04 1.06516479635E-04 1.11494903939E-04 1.16673578513E-04 1.22059820233E-04 1.27661202871E-04 1.33485565947E-04 1.39541023891E-04 1.45835975512E-04 1.52379113792E-04 1.59179436023E-04 1.66246254272E-04 1.73589206224E-04 1.81218266379E-04 1.89143757642E-04 1.97376363300E-04 2.05927139417E-04 2.14807527644E-04 2.24029368466E-04 2.33604914912E-04 2.43546846719E-04 2.53868284983E-04 2.64582807318E-04 2.75704463521E-04 2.87247791773E-04 2.99227835402E-04 3.11660160202E-04 3.24560872357E-04 3.37946636965E-04 3.51834697198E-04 3.66242894116E-04 3.81189687153E-04 3.96694175302E-04 4.12776119019E-04 4.29455962883E-04 4.46754859010E-04 4.64694691284E-04 4.83298100395E-04 5.02588509743E-04 5.22590152218E-04 5.43328097888E-04 5.64828282637E-04 5.87117537771E-04 6.10223620634E-04 6.34175246268E-04 6.59002120143E-04 6.84734972008E-04 7.11405590887E-04 7.39046861270E-04 7.67692800532E-04 7.97378597623E-04 8.28140653078E-04 8.60016620381E-04 8.93045448738E-04 9.27267427308E-04 9.62724230925E-04 9.99458967388E-04 1.03751622635E-03 1.07694212986E-03 1.11778438464E-03 1.16009233614E-03 1.20391702437E-03 1.24931124174E-03 1.29632959274E-03 1.34502855575E-03 1.39546654687E-03 1.44770398597E-03 1.50180336493E-03 1.55782931829E-03 1.61584869616E-03 1.67593063973E-03 1.73814665926E-03 1.80257071476E-03 1.86927929940E-03 1.93835152569E-03 2.00986921471E-03 2.08391698821E-03 2.16058236397E-03 2.23995585427E-03 2.32213106782E-03 2.40720481505E-03 2.49527721700E-03 2.58645181788E-03 2.68083570151E-03 2.77853961162E-03 2.87967807625E-03 2.98436953639E-03 3.09273647895E-03 3.20490557421E-03 3.32100781800E-03 3.44117867856E-03 3.56555824853E-03 3.69429140192E-03 3.82752795650E-03 3.96542284166E-03 4.10813627189E-03 4.25583392617E-03 4.40868713347E-03 4.56687306436E-03 4.73057492929E-03 4.89998218341E-03 5.07529073840E-03 5.25670318140E-03 5.44442900133E-03 5.63868482289E-03 5.83969464841E-03 6.04769010789E-03 6.26291071740E-03 6.48560414631E-03 6.71602649339E-03 6.95444257234E-03 7.20112620681E-03 7.45636053549E-03 7.72043832732E-03 7.99366230742E-03 8.27634549397E-03 8.56881154633E-03 8.87139512499E-03 9.18444226349E-03 9.50831075296E-03 9.84337053941E-03 1.01900041346E-02 1.05486070403E-02 1.09195881873E-02 1.13033703886E-02 1.17003908085E-02 1.21111014461E-02 1.25359696367E-02 1.29754785688E-02 1.34301278183E-02 1.39004339016E-02 1.43869308462E-02 1.48901707805E-02 1.54107245440E-02 1.59491823166E-02 1.65061542702E-02 1.70822712410E-02 1.76781854250E-02 1.82945710955E-02 1.89321253458E-02 1.95915688557E-02 2.02736466834E-02 2.09791290843E-02 2.17088123564E-02 2.24635197138E-02 2.32441021889E-02 2.40514395653E-02 2.48864413403E-02 2.57500477196E-02 2.66432306455E-02 2.75669948578E-02 2.85223789902E-02 2.95104567030E-02 3.05323378518E-02 3.15891696964E-02 3.26821381470E-02 3.38124690533E-02 3.49814295340E-02 3.61903293507E-02 3.74405223257E-02 3.87334078072E-02 4.00704321800E-02 4.14530904273E-02 4.28829277418E-02 4.43615411888E-02 4.58905814234E-02 4.74717544629E-02 4.91068235157E-02 5.07976108694E-02 5.25459998385E-02 5.43539367753E-02 5.62234331439E-02 5.81565676605E-02 6.01554885017E-02 6.22224155821E-02 6.43596429043E-02 6.65695409824E-02 6.88545593414E-02 7.12172290952E-02 7.36601656048E-02 7.61860712184E-02 7.87977380976E-02 8.14980511295E-02 8.42899909293E-02 8.71766369347E-02 9.01611705939E-02 9.32468786516E-02 9.64371565337E-02 9.97355118340E-02 1.03145567906E-01 1.06671067561E-01 1.10315876876E-01 1.14083989116E-01 1.17979528766E-01 1.22006755691E-01 1.26170069403E-01 1.30474013463E-01 1.34923280002E-01 1.39522714372E-01 1.44277319932E-01 1.49192262962E-01 1.54272877715E-01 1.59524671615E-01 1.64953330583E-01 1.70564724524E-01 1.76364912941E-01 1.82360150720E-01 1.88556894044E-01 1.94961806475E-01 2.01581765190E-01 2.08423867361E-01 2.15495436712E-01 2.22804030221E-01 2.30357444992E-01 2.38163725286E-01 2.46231169714E-01 2.54568338595E-01 2.63184061480E-01 2.72087444834E-01 2.81287879884E-01 2.90795050633E-01 3.00618942025E-01 3.10769848275E-01 3.21258381356E-01 3.32095479635E-01 3.43292416659E-01 3.54860810086E-01 3.66812630758E-01 3.79160211903E-01 3.91916258466E-01 4.05093856557E-01 4.18706483012E-01 4.32768015048E-01 4.47292740008E-01 4.62295365185E-01 4.77791027705E-01 4.93795304448E-01 5.10324222015E-01 5.27394266686E-01 5.45022394377E-01 5.63226040563E-01 5.82023130135E-01 6.01432087176E-01 6.21471844622E-01 6.42161853763E-01 6.63522093577E-01 6.85573079823E-01 7.08335873885E-01 7.31832091294E-01 7.56083909903E-01 7.81114077643E-01 8.06945919817E-01 8.33603345863E-01 8.61110855523E-01 8.89493544350E-01 9.18777108467E-01 9.48987848516E-01 9.80152672683E-01 1.01229909873E+00 1.04545525492E+00 1.07964987973E+00 1.11491232023E+00 1.15127252904E+00 1.18876105968E+00 1.22740906023E+00 1.26724826508E+00 1.30831098473E+00 1.35063009332E+00 1.39423901385E+00 1.43917170084E+00 1.48546262018E+00 1.53314672610E+00 1.58225943489E+00 1.63283659520E+00 1.68491445468E+00 1.73852962269E+00 1.79371902877E+00 1.85051987665E+00 1.90896959337E+00 1.96910577336E+00 2.03096611699E+00 2.09458836331E+00 2.16001021667E+00 2.22726926665E+00 2.29640290109E+00 2.36744821181E+00 2.44044189232E+00 2.51542012750E+00 2.59241847437E+00 2.67147173378E+00 2.75261381236E+00 2.83587757435E+00 2.92129468262E+00 3.00889542863E+00 3.09870855051E+00 3.19076103895E+00 3.28507793027E+00 3.38168208609E+00 3.48059395920E+00 3.58183134495E+00 3.68540911781E+00 3.79133895245E+00 3.89962902895E+00 4.01028372174E+00 4.12330327174E+00 4.23868344139E+00 4.35641515239E+00 4.47648410562E+00 4.59887038334E+00 4.72354803340E+00 4.85048463560E+00 4.97964085013E+00 5.11096994859E+00 5.24441732769E+00 5.37992000643E+00 5.51740610732E+00 5.65679432266E+00 5.79799336692E+00 5.94090141679E+00 6.08540554036E+00 6.23138111756E+00 6.37869125404E+00 6.52718619119E+00 6.67670271526E+00 6.82706356911E+00 6.97807687035E+00 7.12953554029E+00 7.28121674863E+00 7.43288137917E+00 7.58427352259E+00 7.73512000285E+00 7.88512994452E+00 8.03399438880E+00 8.18138596674E+00 8.32695863914E+00 8.47034751280E+00 8.61116874400E+00 8.74901954044E+00 8.88347827396E+00 9.01410471646E+00 9.14044041277E+00 9.26200920426E+00 9.37831791783E+00 9.48885723512E+00 9.59310275742E+00 9.69051628160E+00 9.78054730265E+00 9.86263475827E+00 9.93620903045E+00 1.00006942184E+01 1.00555106967E+01 1.01000779697E+01 1.01338178351E+01 1.01561578628E+01 1.01665351967E+01 1.01644006826E+01 1.01492233215E+01 1.01204950445E+01 1.00777357998E+01 1.00204989389E+01 9.94837688081E+00 9.86100702802E+00 9.75807790137E+00 9.63933545145E+00 9.50458949733E+00 9.35372023345E+00 9.18668473703E+00 9.00352339784E+00 8.80436618281E+00 8.58943863768E+00 8.35906751797E+00 8.11368593247E+00 7.85383787290E+00 7.58018199608E+00 7.29349451786E+00 6.99467107298E+00 6.68472739202E+00 6.36479864572E+00 6.03613730893E+00 5.70010940157E+00 5.35818897277E+00 5.01195070682E+00 4.66306054656E+00 4.31326425094E+00 3.96437383007E+00 3.61825183179E+00 3.27679349041E+00 2.94190678995E+00 2.61549054150E+00 2.29941062733E+00 1.99547462409E+00 1.70540508360E+00 1.43081182364E+00 1.17316366441E+00 9.33760138605E-01 7.13703808090E-01 5.13873936324E-01 3.34902395094E-01 1.77152823551E-01 4.07042021962E-02 -7.46598581315E-02 -1.69454700751E-01 -2.44489619316E-01 -3.00852863444E-01 -3.39885493820E-01 -3.63143449520E-01 -3.72348111397E-01 -3.69327100256E-01 -3.55949153656E-01 -3.34059718630E-01 -3.05427224270E-01 -2.71713293155E-01 -2.34482057653E-01 -1.95261522336E-01 -1.55658356499E-01 -1.17497352672E-01 -8.28920582082E-02 -5.40269807249E-02 -3.22286278025E-02 -1.71849548294E-02 -7.82712832195E-03 -2.81455984307E-03 -6.83446092967E-04 -7.59835552456E-05 -7.62680254564E-07 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 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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