Generated using Vanderbilt code, version 7 3 6 Author: kfg Generation date: 13 4 15 Automatically converted from original format 0 The Pseudo was generated with a Non-Relativistic Calculation 1.50000000000E+00 Local Potential cutoff radius nl pn l occ Rcut Rcut US E pseu 1S 1 0 2.00 0.00000000000 1.35000000000 -7.71120685200 2S 2 0 2.00 0.00000000000 1.35000000000 -0.41199851900 2P 2 1 0.00 0.00000000000 1.60000000000 -0.15478400700 0 Version Number Be Element US Ultrasoft pseudopotential F Nonlinear Core Correction SLA PZ NOGX NOGC PZ Exchange-Correlation functional 4.00000000000 Z valence -27.68317156890 Total energy 0.00000 0.00000 Suggested cutoff for wfc and rho 2 Max angular momentum component 769 Number of points in mesh 3 6 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 1S 0 2.00 2S 0 2.00 2P 1 0.00 0.00000000000E+00 3.83134739660E-06 7.72708568336E-06 1.16882970349E-05 1.57160818131E-05 1.98115588730E-05 2.39758658735E-05 2.82101595933E-05 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3.86592738473E-02 -3.26681479696E-03 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 10 Number of nonzero Dij 1 1 2.17793378561E+00 1 2 -1.35633059788E+01 1 3 -2.06391265187E+01 2 2 -4.20789701871E+01 2 3 -3.94181877416E+01 3 3 -2.89162590087E+01 4 4 1.81232823201E+00 4 5 -3.19184551666E+00 5 5 4.99382052350E+00 6 6 1.54436083895E-02 10 nqf. If not zero, Qij's inside rinner are computed using qfcoef's 1 1.00000000000E+00 2 1.00000000000E+00 3 1.00000000000E+00 4 1.00000000000E+00 5 1.00000000000E+00 1 1 0 i j (l(j)) -1.31669876532E-01 Q_int 0.00000000000E+00 1.13236258602E-11 4.60589361726E-11 1.05386486464E-10 1.90533351494E-10 3.02774811329E-10 4.43436096400E-10 6.13894193575E-10 8.15579715350E-10 1.04997883432E-09 1.31863528519E-09 1.62315243663E-09 1.96519543539E-09 2.34649342514E-09 2.76884184262E-09 3.23410479381E-09 3.74421751265E-09 4.30118890550E-09 4.90710418392E-09 5.56412758909E-09 6.27450521079E-09 7.04056790436E-09 7.86473430886E-09 8.74951397003E-09 9.69751057155E-09 1.07114252783E-08 1.17940601955E-08 1.29483219479E-08 1.41772253826E-08 1.54838974002E-08 1.68715809186E-08 1.83436389740E-08 1.99035589637E-08 2.15549570350E-08 2.33015826269E-08 2.51473231677E-08 2.70962089354E-08 2.91524180857E-08 3.13202818534E-08 3.36042899339E-08 3.60090960494E-08 3.85395237078E-08 4.12005721596E-08 4.39974225606E-08 4.69354443464E-08 5.00202018270E-08 5.32574610080E-08 5.66531966466E-08 6.02135995510E-08 6.39450841304E-08 6.78542962048E-08 7.19481210835E-08 7.62336919213E-08 8.07183983618E-08 8.54098954777E-08 9.03161130184E-08 9.54452649751E-08 1.00805859475E-07 1.06406709012E-07 1.12256941036E-07 1.18366008894E-07 1.24743703161E-07 1.31400163344E-07 1.38345890000E-07 1.45591757265E-07 1.53149025807E-07 1.61029356234E-07 1.69244822953E-07 1.77807928503E-07 1.86731618389E-07 1.96029296410E-07 2.05714840523E-07 2.15802619245E-07 2.26307508618E-07 2.37244909753E-07 2.48630766974E-07 2.60481586585E-07 2.72814456281E-07 2.85647065211E-07 2.98997724743E-07 3.12885389929E-07 3.27329681703E-07 3.42350909845E-07 3.57970096720E-07 3.74209001837E-07 3.91090147242E-07 4.08636843776E-07 4.26873218236E-07 4.45824241459E-07 4.65515757365E-07 4.85974512991E-07 5.07228189553E-07 5.29305434563E-07 5.52235895047E-07 5.76050251891E-07 6.00780255360E-07 6.26458761833E-07 6.53119771782E-07 6.80798469052E-07 7.09531261478E-07 7.39355822888E-07 7.70311136531E-07 8.02437539994E-07 8.35776771645E-07 8.70372018652E-07 9.06267966649E-07 9.43510851085E-07 9.82148510321E-07 1.02223044054E-06 1.06380785254E-06 1.10693373039E-06 1.15166289221E-06 1.19805205290E-06 1.24615988903E-06 1.29604710601E-06 1.34777650744E-06 1.40141306691E-06 1.45702400217E-06 1.51467885184E-06 1.57444955480E-06 1.63641053213E-06 1.70063877201E-06 1.76721391735E-06 1.83621835650E-06 1.90773731701E-06 1.98185896254E-06 2.05867449311E-06 2.13827824874E-06 2.22076781660E-06 2.30624414180E-06 2.39481164196E-06 2.48657832560E-06 2.58165591465E-06 2.68015997106E-06 2.78221002766E-06 2.88792972356E-06 2.99744694405E-06 3.11089396533E-06 3.22840760401E-06 3.35012937187E-06 3.47620563565E-06 3.60678778245E-06 3.74203239060E-06 3.88210140635E-06 4.02716232661E-06 4.17738838774E-06 4.33295876088E-06 4.49405875378E-06 4.66088001953E-06 4.83362077227E-06 5.01248601031E-06 5.19768774668E-06 5.38944524757E-06 5.58798527871E-06 5.79354236023E-06 6.00635903000E-06 6.22668611590E-06 6.45478301734E-06 6.69091799620E-06 6.93536847763E-06 7.18842136100E-06 7.45037334132E-06 7.72153124155E-06 8.00221235598E-06 8.29274480539E-06 8.59346790394E-06 8.90473253860E-06 9.22690156128E-06 9.56035019413E-06 9.90546644853E-06 1.02626515581E-05 1.06323204264E-05 1.10149020896E-05 1.14108401943E-05 1.18205934925E-05 1.22446363518E-05 1.26834592835E-05 1.31375694886E-05 1.36074914214E-05 1.40937673726E-05 1.45969580714E-05 1.51176433085E-05 1.56564225789E-05 1.62139157471E-05 1.67907637343E-05 1.73876292281E-05 1.80051974162E-05 1.86441767450E-05 1.93052997027E-05 1.99893236289E-05 2.06970315513E-05 2.14292330495E-05 2.21867651488E-05 2.29704932422E-05 2.37813120442E-05 2.46201465755E-05 2.54879531804E-05 2.63857205785E-05 2.73144709502E-05 2.82752610590E-05 2.92691834101E-05 3.02973674476E-05 3.13609807911E-05 3.24612305129E-05 3.35993644574E-05 3.47766726032E-05 3.59944884708E-05 3.72541905753E-05 3.85572039279E-05 3.99050015852E-05 4.12991062497E-05 4.27410919224E-05 4.42325856089E-05 4.57752690814E-05 4.73708806968E-05 4.90212172751E-05 5.07281360368E-05 5.24935566045E-05 5.43194630677E-05 5.62079061141E-05 5.81610052302E-05 6.01809509707E-05 6.22700073018E-05 6.44305140184E-05 6.66648892384E-05 6.89756319755E-05 7.13653247944E-05 7.38366365490E-05 7.63923252063E-05 7.90352407602E-05 8.17683282351E-05 8.45946307836E-05 8.75172928806E-05 9.05395636164E-05 9.36648000906E-05 9.68964709111E-05 1.00238159800E-04 1.03693569310E-04 1.07266524652E-04 1.10960977641E-04 1.14781010757E-04 1.18730841333E-04 1.22814825863E-04 1.27037464439E-04 1.31403405322E-04 1.35917449638E-04 1.40584556226E-04 1.45409846611E-04 1.50398610128E-04 1.55556309193E-04 1.60888584718E-04 1.66401261687E-04 1.72100354877E-04 1.77992074746E-04 1.84082833479E-04 1.90379251197E-04 1.96888162336E-04 2.03616622195E-04 2.10571913653E-04 2.17761554064E-04 2.25193302332E-04 2.32875166154E-04 2.40815409459E-04 2.49022560016E-04 2.57505417235E-04 2.66273060151E-04 2.75334855591E-04 2.84700466534E-04 2.94379860651E-04 3.04383319038E-04 3.14721445128E-04 3.25405173798E-04 3.36445780647E-04 3.47854891464E-04 3.59644491867E-04 3.71826937124E-04 3.84414962134E-04 3.97421691580E-04 4.10860650233E-04 4.24745773415E-04 4.39091417591E-04 4.53912371111E-04 4.69223865057E-04 4.85041584209E-04 5.01381678102E-04 5.18260772167E-04 5.35695978930E-04 5.53704909259E-04 5.72305683630E-04 5.91516943393E-04 6.11357862013E-04 6.31848156253E-04 6.53008097270E-04 6.74858521594E-04 6.97420841945E-04 7.20717057852E-04 7.44769766026E-04 7.69602170445E-04 7.95238092090E-04 8.21701978276E-04 8.49018911521E-04 8.77214617877E-04 9.06315474659E-04 9.36348517479E-04 9.67341446515E-04 9.99322631902E-04 1.03232111817E-03 1.06636662759E-03 1.10148956235E-03 1.13772100535E-03 1.17509271964E-03 1.21363714616E-03 1.25338739977E-03 1.29437726332E-03 1.33664117963E-03 1.38021424115E-03 1.42513217709E-03 1.47143133778E-03 1.51914867611E-03 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