N E dE eps ncg rms rms(c) DAV: 1 0.105268483422E+04 0.10527E+04 -0.42488E+04 288 0.116E+03 DAV: 2 0.588678197413E+02 -0.99382E+03 -0.91323E+03 304 0.437E+02 DAV: 3 -0.669085923563E+02 -0.12578E+03 -0.11775E+03 360 0.124E+02 DAV: 4 -0.759137476225E+02 -0.90052E+01 -0.82968E+01 400 0.388E+01 DAV: 5 -0.761598743827E+02 -0.24613E+00 -0.24130E+00 400 0.541E+00 0.137E+01 DAV: 6 -0.724567249363E+02 0.37031E+01 -0.18503E+01 416 0.263E+01 0.832E+00 DAV: 7 -0.770390373789E+02 -0.45823E+01 -0.56310E+01 504 0.490E+01 0.135E+01 DAV: 8 -0.731398732484E+02 0.38992E+01 -0.15880E+01 520 0.344E+01 0.916E+00 DAV: 9 -0.715845573979E+02 0.15553E+01 -0.58453E+00 560 0.170E+01 0.381E+00 DAV: 10 -0.714050387202E+02 0.17952E+00 -0.49439E-01 416 0.472E+00 0.238E+00 DAV: 11 -0.713611212698E+02 0.43917E-01 -0.14112E-01 448 0.318E+00 0.178E+00 DAV: 12 -0.713171351003E+02 0.43986E-01 -0.17191E-01 464 0.322E+00 0.831E-01 DAV: 13 -0.713110693865E+02 0.60657E-02 -0.86554E-02 448 0.215E+00 0.502E-01 DAV: 14 -0.713075787728E+02 0.34906E-02 -0.18782E-02 400 0.113E+00 0.215E-01 DAV: 15 -0.713073630750E+02 0.21570E-03 -0.59351E-03 448 0.583E-01 0.205E-01 DAV: 16 -0.713067198143E+02 0.64326E-03 -0.35683E-03 448 0.450E-01 0.113E-01 DAV: 17 -0.713066148408E+02 0.10497E-03 -0.99930E-04 416 0.244E-01 0.725E-02 DAV: 18 -0.713065242251E+02 0.90616E-04 -0.37210E-04 424 0.145E-01 0.235E-02 DAV: 19 -0.713065395435E+02 -0.15318E-04 -0.93322E-05 432 0.620E-02 0.231E-02 DAV: 20 -0.713065563294E+02 -0.16786E-04 -0.43935E-05 440 0.557E-02 0.118E-02 DAV: 21 -0.713066214592E+02 -0.65130E-04 -0.24338E-05 352 0.270E-02 0.115E-02 DAV: 22 -0.713066586250E+02 -0.37166E-04 -0.14146E-05 320 0.287E-02 0.792E-03 DAV: 23 -0.713067090931E+02 -0.50468E-04 -0.11813E-05 352 0.228E-02 0.637E-03 DAV: 24 -0.713067410916E+02 -0.31998E-04 -0.35562E-06 208 0.134E-02 0.455E-03 DAV: 25 -0.713067672428E+02 -0.26151E-04 -0.44350E-06 288 0.117E-02 0.182E-03 DAV: 26 -0.713067823395E+02 -0.15097E-04 -0.11364E-06 192 0.571E-03 0.166E-03 DAV: 27 -0.713067943766E+02 -0.12037E-04 -0.59796E-07 176 0.510E-03 0.956E-04 DAV: 28 -0.713068032570E+02 -0.88804E-05 -0.53056E-07 176 0.400E-03 0.959E-04 DAV: 29 -0.713068121420E+02 -0.88850E-05 -0.36778E-07 176 0.318E-03 0.396E-04 DAV: 30 -0.713068178724E+02 -0.57304E-05 -0.30096E-07 176 0.189E-03 0.357E-04 DAV: 31 -0.713068198255E+02 -0.19531E-05 -0.12173E-07 160 0.186E-03 0.294E-04 DAV: 32 -0.713068218958E+02 -0.20702E-05 -0.82715E-08 176 0.121E-03 0.142E-04 DAV: 33 -0.713068235125E+02 -0.16168E-05 -0.77392E-08 176 0.985E-04 0.988E-05 DAV: 34 -0.713068237347E+02 -0.22214E-06 -0.34353E-08 144 0.764E-04 1 F= -.71306824E+02 E0= -.71311889E+02 d E =-.713068E+02 N E dE d eps ncg rms rms(c) DAV: 1 -0.713068331768E+02 -0.96643E-05 -0.47045E-05 288 0.221E-02 0.546E-04 DAV: 2 -0.713068332453E+02 -0.68441E-07 -0.56205E-07 144 0.403E-03 2 F= -.71306833E+02 E0= -.71311899E+02 d E =-.951062E-05 N E dE d eps ncg rms rms(c) DAV: 1 -0.713068602755E+02 -0.27099E-04 -0.42727E-04 288 0.664E-02 0.185E-03 DAV: 2 -0.713068612986E+02 -0.10231E-05 -0.82510E-06 312 0.123E-02 0.628E-03 DAV: 3 -0.713068607738E+02 0.52474E-06 -0.31496E-06 144 0.126E-02 3 F= -.71306861E+02 E0= -.71311929E+02 d E =-.370392E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.713069123765E+02 -0.51078E-04 -0.17119E-03 288 0.134E-01 0.390E-03 DAV: 2 -0.713069149193E+02 -0.25429E-05 -0.26896E-05 432 0.252E-02 0.604E-03 DAV: 3 -0.713069146514E+02 0.26790E-06 -0.40654E-06 192 0.140E-02 4 F= -.71306915E+02 E0= -.71311986E+02 d E =-.909168E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.713069123765E+02 -0.51078E-04 -0.17119E-03 288 0.134E-01 0.390E-03 DAV: 2 -0.713069149193E+02 -0.25429E-05 -0.26896E-05 432 0.252E-02 0.604E-03 DAV: 3 -0.713069146514E+02 0.26790E-06 -0.40654E-06 192 0.140E-02 4 F= -.71306915E+02 EO= -.71311986E+02 d E =-.909168E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.713070083269E+02 -0.93408E-04 -0.68109E-03 288 0.267E-01 0.788E-03 DAV: 2 -0.713070181249E+02 -0.97980E-05 -0.10346E-04 432 0.481E-02 0.110E-02 DAV: 3 -0.713070173484E+02 0.77648E-06 -0.13560E-05 256 0.257E-02 0.970E-03 DAV: 4 -0.713070163106E+02 0.10378E-05 -0.51012E-06 192 0.150E-02 0.632E-03 DAV: 5 -0.713070158762E+02 0.43443E-06 -0.15368E-06 144 0.854E-03 5 F= -.71307016E+02 E0= -.71312092E+02 d E =-.192142E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.713071627499E+02 -0.14644E-03 -0.27161E-02 288 0.533E-01 0.136E-02 DAV: 2 -0.713072037478E+02 -0.40998E-04 -0.42703E-04 392 0.912E-02 0.206E-02 DAV: 3 -0.713072031932E+02 0.55459E-06 -0.78333E-05 424 0.580E-02 0.202E-02 DAV: 4 -0.713071982406E+02 0.49525E-05 -0.25313E-05 240 0.325E-02 0.103E-02 DAV: 5 -0.713071972454E+02 0.99520E-06 -0.36870E-06 176 0.133E-02 6 F= -.71307197E+02 E0= -.71312283E+02 d E =-.373511E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.713073345423E+02 -0.13630E-03 -0.10857E-01 288 0.106E+00 0.265E-02 DAV: 2 -0.713074952898E+02 -0.16075E-03 -0.16700E-03 392 0.181E-01 0.377E-02 DAV: 3 -0.713074948351E+02 0.45474E-06 -0.25948E-04 440 0.104E-01 0.386E-02 DAV: 4 -0.713074772464E+02 0.17589E-04 -0.92630E-05 448 0.592E-02 0.201E-02 DAV: 5 -0.713074737349E+02 0.35114E-05 -0.17288E-05 304 0.258E-02 0.164E-02 DAV: 6 -0.713074710294E+02 0.27055E-05 -0.44489E-05 432 0.344E-02 0.131E-02 DAV: 7 -0.713074681879E+02 0.28415E-05 -0.17609E-05 328 0.324E-02 0.400E-03 DAV: 8 -0.713074681345E+02 0.53435E-07 -0.24581E-06 144 0.120E-02 7 F= -.71307468E+02 E0= -.71312590E+02 d E =-.644400E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.713072581489E+02 0.21004E-03 -0.42849E-02 288 0.668E-01 0.161E-02 DAV: 2 -0.713073249487E+02 -0.66800E-04 -0.66857E-04 432 0.120E-01 0.274E-02 DAV: 3 -0.713073204552E+02 0.44935E-05 -0.96538E-05 400 0.657E-02 0.229E-02 DAV: 4 -0.713073142582E+02 0.61970E-05 -0.26839E-05 288 0.319E-02 0.128E-02 DAV: 5 -0.713073129158E+02 0.13425E-05 -0.37904E-06 176 0.133E-02 0.111E-02 DAV: 6 -0.713073118589E+02 0.10569E-05 -0.24748E-05 424 0.231E-02 0.748E-03 DAV: 7 -0.713073111396E+02 0.71929E-06 -0.46844E-06 144 0.193E-02 8 F= -.71307311E+02 E0= -.71312418E+02 d E =-.487405E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.713073757589E+02 -0.63900E-04 -0.65589E-03 288 0.261E-01 0.606E-03 DAV: 2 -0.713073856488E+02 -0.98899E-05 -0.10008E-04 424 0.472E-02 0.117E-02 DAV: 3 -0.713073844407E+02 0.12080E-05 -0.13440E-05 264 0.257E-02 0.848E-03 DAV: 4 -0.713073836788E+02 0.76195E-06 -0.27993E-06 160 0.114E-02 9 F= -.71307384E+02 E0= -.71312489E+02 d E =-.725392E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.713074976562E+02 -0.11322E-03 -0.58901E-02 288 0.784E-01 0.200E-02 DAV: 2 -0.713075838161E+02 -0.86160E-04 -0.87303E-04 392 0.135E-01 0.313E-02 DAV: 3 -0.713075787359E+02 0.50802E-05 -0.13129E-04 416 0.758E-02 0.269E-02 DAV: 4 -0.713075703503E+02 0.83856E-05 -0.34362E-05 336 0.364E-02 0.160E-02 DAV: 5 -0.713075677277E+02 0.26226E-05 -0.72024E-06 208 0.186E-02 0.139E-02 DAV: 6 -0.713075655816E+02 0.21460E-05 -0.39486E-05 432 0.307E-02 0.987E-03 DAV: 7 -0.713075639544E+02 0.16272E-05 -0.82565E-06 192 0.247E-02 0.360E-03 DAV: 8 -0.713075638622E+02 0.92237E-07 -0.20208E-06 144 0.906E-03 10 F= -.71307564E+02 E0= -.71312692E+02 d E =-.252723E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.713074647345E+02 0.99220E-04 -0.23492E-01 288 0.156E+00 0.387E-02 DAV: 2 -0.713078209572E+02 -0.35622E-03 -0.36667E-03 408 0.274E-01 0.558E-02 DAV: 3 -0.713078161993E+02 0.47579E-05 -0.54898E-04 408 0.157E-01 0.581E-02 DAV: 4 -0.713077765677E+02 0.39632E-04 -0.20043E-04 464 0.872E-02 0.286E-02 DAV: 5 -0.713077692144E+02 0.73533E-05 -0.24319E-05 424 0.302E-02 0.231E-02 DAV: 6 -0.713077611628E+02 0.80516E-05 -0.68624E-05 424 0.448E-02 0.167E-02 DAV: 7 -0.713077565031E+02 0.46596E-05 -0.25742E-05 392 0.424E-02 0.450E-03 DAV: 8 -0.713077565624E+02 -0.59243E-07 -0.35880E-06 168 0.145E-02 11 F= -.71307757E+02 E0= -.71312919E+02 d E =-.445423E-03 This file has been created by Federico Brivio modifying an output of vasp This is part of a lecture for one exercise that can be found here https://blogfederico.gitlab.io/post/ N E dE d eps ncg rms rms(c) DAV: 1 -0.713062817051E+02 0.14748E-02 -0.94022E-01 288 0.313E+00 0.770E-02 DAV: 2 -0.713077040129E+02 -0.14223E-02 -0.14699E-02 408 0.548E-01 0.104E-01 DAV: 3 -0.713076971584E+02 0.68545E-05 -0.19204E-03 416 0.296E-01 0.113E-01 DAV: 4 -0.713075525042E+02 0.14465E-03 -0.75496E-04 464 0.169E-01 0.579E-02 DAV: 5 -0.713075233016E+02 0.29203E-04 -0.10377E-04 480 0.619E-02 0.472E-02 DAV: 6 -0.713074840629E+02 0.39239E-04 -0.28396E-04 424 0.875E-02 0.298E-02 DAV: 7 -0.713074699869E+02 0.14076E-04 -0.88130E-05 448 0.800E-02 0.900E-03 DAV: 8 -0.713074698692E+02 0.11765E-06 -0.12135E-05 296 0.250E-02 0.764E-03 DAV: 9 -0.713074688396E+02 0.10296E-05 -0.36036E-06 144 0.165E-02 0.465E-03 DAV: 10 -0.713074684122E+02 0.42737E-06 -0.20360E-06 144 0.836E-03 12 F= -.71307468E+02 E0= -.71312662E+02 d E =-.157273E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.713072949947E+02 0.17384E-03 -0.36921E-01 288 0.196E+00 0.487E-02 DAV: 2 -0.713078710598E+02 -0.57607E-03 -0.58239E-03 424 0.362E-01 0.776E-02 DAV: 3 -0.713078464693E+02 0.24590E-04 -0.90680E-04 424 0.200E-01 0.720E-02 DAV: 4 -0.713077838746E+02 0.62595E-04 -0.30753E-04 464 0.106E-01 0.361E-02 DAV: 5 -0.713077722893E+02 0.11585E-04 -0.36555E-05 456 0.364E-02 0.294E-02 DAV: 6 -0.713077626199E+02 0.96694E-05 -0.11503E-04 432 0.604E-02 0.240E-02 DAV: 7 -0.713077539770E+02 0.86429E-05 -0.56032E-05 464 0.577E-02 0.675E-03 DAV: 8 -0.713077540763E+02 -0.99251E-07 -0.94719E-06 208 0.222E-02 13 F= -.71307754E+02 E0= -.71312907E+02 d E =-.442937E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.713078019514E+02 -0.47974E-04 -0.16658E-02 288 0.423E-01 0.117E-02 DAV: 2 -0.713078242927E+02 -0.22341E-04 -0.24753E-04 408 0.762E-02 0.123E-02 DAV: 3 -0.713078226903E+02 0.16023E-05 -0.14116E-05 328 0.259E-02 0.110E-02 DAV: 4 -0.713078219198E+02 0.77051E-06 -0.90145E-06 192 0.195E-02 14 F= -.71307822E+02 E0= -.71312986E+02 d E =-.678435E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.713077323444E+02 0.90346E-04 -0.15009E-01 288 0.127E+00 0.374E-02 DAV: 2 -0.713079410183E+02 -0.20867E-03 -0.22141E-03 392 0.222E-01 0.421E-02 DAV: 3 -0.713079504178E+02 -0.93995E-05 -0.34822E-04 440 0.120E-01 0.534E-02 DAV: 4 -0.713079150197E+02 0.35398E-04 -0.17864E-04 464 0.803E-02 0.245E-02 DAV: 5 -0.713079085183E+02 0.65014E-05 -0.51944E-05 424 0.482E-02 0.187E-02 DAV: 6 -0.713079044130E+02 0.41053E-05 -0.53487E-05 432 0.463E-02 0.116E-02 DAV: 7 -0.713079021393E+02 0.22737E-05 -0.11106E-05 224 0.288E-02 0.416E-03 DAV: 8 -0.713079019722E+02 0.16713E-06 -0.31416E-06 144 0.116E-02 15 F= -.71307902E+02 E0= -.71313052E+02 d E =-.147896E-03 DAV: 1 -0.713077323444E+02 0.90346E-04 -0.15009E-01 288 0.127E+00 0.374E-02 DAV: 2 -0.713079410183E+02 -0.20867E-03 -0.22141E-03 392 0.222E-01 0.421E-02 DAV: 3 -0.713079504178E+02 -0.93995E-05 -0.34822E-04 440 0.120E-01 0.534E-02 DAV: 4 -0.713079150197E+02 0.35398E-04 -0.17864E-04 464 0.803E-02 0.245E-02 DAV: 5 -0.713079085183E+02 0.65014E-05 -0.51944E-05 424 0.482E-02 0.187E-02 DAV: 6 -0.713079044130E+02 0.41053E-05 -0.53487E-05 432 0.463E-02 0.116E-02 DAV: 7 -0.713079021393E+02 0.22737E-05 -0.11106E-05 224 0.288E-02 0.416E-03 DAV: 8 -0.713079019722E+02 0.16713E-06 -0.31416E-06 144 0.116E-02 15 F -.71997999E+02 E0= -.71313052E+02 d E =-.147896E-03 DAV: 1 -0.713077323444E+02 0.90346E-04 -0.15009E-01 288 0.127E+00 0.374E-02 DAV: 2 -0.713079410183E+02 -0.20867E-03 -0.22141E-03 392 0.222E-01 0.421E-02 DAV: 3 -0.713079504178E+02 -0.93995E-05 -0.34822E-04 440 0.120E-01 0.534E-02 DAV: 4 -0.713079150197E+02 0.35398E-04 -0.17864E-04 464 0.803E-02 0.245E-02 DAV: 5 -0.713079085183E+02 0.65014E-05 -0.51944E-05 424 0.482E-02 0.187E-02 DAV: 6 -0.713079044130E+02 0.41053E-05 -0.53487E-05 432 0.463E-02 0.116E-02 DAV: 7 -0.713079021393E+02 0.22737E-05 -0.11106E-05 224 0.288E-02 0.416E-03 DAV: 8 -0.713079019722E+02 0.16713E-06 -0.31416E-06 144 0.116E-02 15 f= -.71907999E+02 E0= -.71313052E+02 d E =-.147896E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.713078638081E+02 0.38331E-04 -0.19686E-02 288 0.459E-01 0.137E-02 DAV: 2 -0.713078920938E+02 -0.28286E-04 -0.30758E-04 400 0.820E-02 0.128E-02 DAV: 3 -0.713078901715E+02 0.19223E-05 -0.20318E-05 376 0.354E-02 0.985E-03 DAV: 4 -0.713078889989E+02 0.11726E-05 -0.46094E-06 192 0.158E-02 0.699E-03 DAV: 5 -0.713078889051E+02 0.93787E-07 -0.77091E-06 240 0.191E-02 16 F= -.71307889E+02 E0= -.71313006E+02 d E =-.134829E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.713079136020E+02 -0.24603E-04 -0.12259E-02 288 0.368E-01 0.171E-02 DAV: 2 -0.713080411068E+02 -0.12750E-03 -0.76047E-04 456 0.150E-01 0.903E-02 DAV: 3 -0.713079279370E+02 0.11317E-03 -0.55559E-04 424 0.146E-01 0.122E-02 DAV: 4 -0.713079279640E+02 -0.26981E-07 -0.23382E-05 416 0.266E-02 0.874E-03 DAV: 5 -0.713079270599E+02 0.90407E-06 -0.79094E-06 192 0.222E-02 17 F= -.71307927E+02 E0= -.71313057E+02 d E =-.381548E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.713077323444E+02 0.90346E-04 -0.15009E-01 288 0.127E+00 0.374E-02 DAV: 2 -0.713079410183E+02 -0.20867E-03 -0.22141E-03 392 0.222E-01 0.421E-02 DAV: 3 -0.713079504178E+02 -0.93995E-05 -0.34822E-04 440 0.120E-01 0.534E-02 DAV: 4 -0.713079150197E+02 0.35398E-04 -0.17864E-04 464 0.803E-02 0.245E-02 DAV: 5 -0.713079085183E+02 0.65014E-05 -0.51944E-05 424 0.482E-02 0.187E-02 DAV: 6 -0.713079044130E+02 0.41053E-05 -0.53487E-05 432 0.463E-02 0.116E-02 DAV: 7 -0.713079021393E+02 0.22737E-05 -0.11106E-05 224 0.288E-02 0.416E-03 DAV: 8 -0.713079019722E+02 0.16713E-06 -0.31416E-06 144 0.116E-02 15 F= -.71907999E+02 E0= -.71313052E+O2 d E =-.l47896E- N E dE d eps ncg rms rms(c) DAV: 1 -0.713078210813E+02 0.10688E-03 -0.86720E-02 288 0.974E-01 0.361E-02 DAV: 2 -0.713079588134E+02 -0.13773E-03 -0.14545E-03 416 0.195E-01 0.490E-02 DAV: 3 -0.713079569751E+02 0.18383E-05 -0.44727E-04 432 0.138E-01 0.495E-02 DAV: 4 -0.713079295215E+02 0.27454E-04 -0.19058E-04 480 0.847E-02 0.244E-02 DAV: 5 -0.713079231279E+02 0.63936E-05 -0.53418E-05 472 0.454E-02 0.152E-02 DAV: 6 -0.713079239674E+02 -0.83947E-06 -0.48975E-05 440 0.459E-02 0.153E-02 DAV: 7 -0.713079198493E+02 0.41180E-05 -0.20747E-05 336 0.357E-02 0.456E-03 DAV: 8 -0.713079195881E+02 0.26123E-06 -0.25261E-06 144 0.115E-02 18 F= -.71307920E+02 E0= -.71312987E+02 d E =-.306830E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.713078933673E+02 0.26482E-04 -0.20265E-02 288 0.467E-01 0.161E-02 DAV: 2 -0.713079313936E+02 -0.38026E-04 -0.37447E-04 416 0.100E-01 0.290E-02 DAV: 3 -0.713079257025E+02 0.56911E-05 -0.12910E-04 416 0.749E-02 0.227E-02 DAV: 4 -0.713079198993E+02 0.58032E-05 -0.38918E-05 368 0.394E-02 0.103E-02 DAV: 5 -0.713079184662E+02 0.14332E-05 -0.51495E-06 176 0.168E-02 0.645E-03 DAV: 6 -0.713079186406E+02 -0.17445E-06 -0.84826E-06 328 0.198E-02 19 F= -.71307919E+02 E0= -.71312962E+02 d E =0.947493E-06 N E dE d eps ncg rms rms(c) DAV: 1 -0.713077323444E+02 0.90346E-04 -0.15009E-01 288 0.127E+00 0.374E-02 DAV: 2 -0.713079410183E+02 -0.20867E-03 -0.22141E-03 392 0.222E-01 0.421E-02 DAV: 3 -0.713079504178E+02 -0.93995E-05 -0.34822E-04 440 0.120E-01 0.534E-02 DAV: 4 -0.713079150197E+02 0.35398E-04 -0.17864E-04 464 0.803E-02 0.245E-02 DAV: 5 -0.713079085183E+02 0.65014E-05 -0.51944E-05 424 0.482E-02 0.187E-02 DAV: 6 -0.713079044130E+02 0.41053E-05 -0.53487E-05 432 0.463E-02 0.116E-02 DAV: 7 -0.713079021393E+02 0.22737E-05 -0.11106E-05 224 0.288E-02 0.416E-03 DAV: 8 -0.713079019722E+02 0.16713E-06 -0.31416E-06 144 0.116E-02 15 F= -.71907999E+02 E0= -.71313052E+02 d E =-.i47896E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.713074848011E+02 0.43367E-03 -0.18239E-01 288 0.140E+00 0.478E-02 DAV: 2 -0.713078214413E+02 -0.33664E-03 -0.33411E-03 416 0.303E-01 0.852E-02 DAV: 3 -0.713077747470E+02 0.46694E-04 -0.11112E-03 432 0.217E-01 0.672E-02 DAV: 4 -0.713077241768E+02 0.50570E-04 -0.35202E-04 488 0.117E-01 0.312E-02 DAV: 5 -0.713077118927E+02 0.12284E-04 -0.54065E-05 472 0.498E-02 0.183E-02 29 F = -.71307984E+02 E0= -.71313061E+02 d E =0.114874E-05 DAV: 1 -0.713074848011E+02 0.43367E-03 -0.18239E-01 288 0.140E+00 0.478E-02 DAV: 2 -0.713078214413E+02 -0.33664E-03 -0.33411E-03 416 0.303E-01 0.852E-02 DAV: 3 -0.713077747470E+02 0.46694E-04 -0.11112E-03 432 0.217E-01 0.672E-02 DAV: 4 -0.713077241768E+02 0.50570E-04 -0.35202E-04 488 0.117E-01 0.312E-02 DAV: 5 -0.713077118927E+02 0.12284E-04 -0.54065E-05 472 0.498E-02 0.183E-02 DAV: 6 -0.713077132140E+02 -0.13213E-05 -0.57042E-05 456 0.530E-02 0.193E-02 DAV: 7 -0.713077068008E+02 0.64132E-05 -0.29895E-05 424 0.453E-02 0.467E-03 DAV: 8 -0.713077066301E+02 0.17073E-06 -0.35174E-06 152 0.131E-02 20 F= -.71307707E+02 E0= -.71312676E+02 d E =0.212958E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.713075249965E+02 0.18180E-03 -0.23960E-02 288 0.508E-01 0.182E-02 DAV: 2 -0.713075716486E+02 -0.46652E-04 -0.46100E-04 424 0.115E-01 0.328E-02 DAV: 3 -0.713075647181E+02 0.69305E-05 -0.17073E-04 424 0.858E-02 0.263E-02 DAV: 4 -0.713075569648E+02 0.77533E-05 -0.53590E-05 440 0.456E-02 0.114E-02 DAV: 5 -0.713075552257E+02 0.17392E-05 -0.63809E-06 192 0.185E-02 0.688E-03 DAV: 6 -0.713075553959E+02 -0.17021E-06 -0.83738E-06 304 0.209E-02 21 F= -.71307555E+02 E0= -.71312508E+02 d E =0.364192E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.713075609107E+02 -0.56851E-05 -0.87513E-02 288 0.963E-01 0.261E-02 DAV: 2 -0.713076817670E+02 -0.12086E-03 -0.13172E-03 344 0.165E-01 0.238E-02 21 F = -.71307555E+02 E0= -.71312508E+02 d E =0.364192E-03 N E dE d eps ncg rms rms(c)2 DAV: 2 -0.713076817670E+02 -0.12086E-03 -0.13172E-03 344 0.165E-01 0.238E-02 DAV: 3 -0.713075609107E+02 -0.56851E-05 -0.87513E-02 288 0.963E-01 0.261E-02 DAV: 4 -0.713076817670E+02 -0.12086E-03 -0.13172E-03 344 0.165E-01 0.238E-02 DAV: 5 -0.713076749715E+02 0.33168E-05 -0.24365E-05 344 0.342E-02 0.133E-02 DAV: 6 -0.713076740428E+02 0.92867E-06 -0.32368E-05 432 0.312E-02 0.117E-02 DAV: 7 -0.713076720236E+02 0.20192E-05 -0.14020E-05 224 0.268E-02 0.351E-03 DAV: 8 -0.713076720978E+02 -0.74164E-07 -0.26864E-06 144 0.112E-02 22 F= -.71307672E+02 E0= -.71312616E+02 d E =-.116702E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.713075875483E+02 0.84475E-04 -0.50552E-02 288 0.731E-01 0.202E-02 DAV: 2 -0.713076581769E+02 -0.70629E-04 -0.77429E-04 344 0.126E-01 0.185E-02 DAV: 3 -0.713076648900E+02 -0.67130E-05 -0.10321E-04 432 0.611E-02 0.285E-02 DAV: 4 -0.713076555795E+02 0.93105E-05 -0.60142E-05 328 0.482E-02 0.124E-02 DAV: 5 -0.713076541251E+02 0.14543E-05 -0.90603E-06 240 0.231E-02 0.936E-03 DAV: 6 -0.713076534087E+02 0.71649E-06 -0.15864E-05 408 0.215E-02 0.538E-03 DAV: 7 -0.713076530444E+02 0.36430E-06 -0.24703E-06 144 0.154E-02 23 F= -.71307653E+02 E0= -.71312586E+02 d E =-.976485E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.713077053064E+02 -0.51898E-04 -0.45074E-02 288 0.699E-01 0.208E-02 DAV: 2 -0.713077686083E+02 -0.63302E-04 -0.67770E-04 408 0.125E-01 0.181E-02 DAV: 3 -0.713077649338E+02 0.36745E-05 -0.31312E-05 448 0.468E-02 0.132E-02 DAV: 4 -0.713077636958E+02 0.12380E-05 -0.12206E-05 224 0.268E-02 0.129E-02 DAV: 5 -0.713077649655E+02 -0.12697E-05 -0.31329E-05 192 0.349E-02 0.169E-02 DAV: 6 -0.713077626341E+02 0.23314E-05 -0.36099E-05 432 0.329E-02 0.826E-03 DAV: 7 -0.713077615144E+02 0.11196E-05 -0.57749E-06 176 0.179E-02 0.272E-03 DAV: 8 -0.713077614752E+02 0.39206E-07 -0.11026E-06 144 0.619E-03 24 F= -.71307761E+02 E0= -.71312703E+02 d E =-.108431E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.713073677582E+02 0.39376E-03 -0.40582E-01 288 0.210E+00 0.611E-02 DAV: 2 -0.713079368446E+02 -0.56909E-03 -0.60691E-03 408 0.373E-01 0.537E-02 DAV: 3 -0.713079039757E+02 0.32869E-04 -0.26444E-04 440 0.131E-01 0.401E-02 DAV: 4 -0.713078892902E+02 0.14685E-04 -0.11181E-04 456 0.769E-02 0.344E-02 DAV: 5 -0.713079278177E+02 -0.38527E-04 -0.37164E-04 528 0.115E-01 0.646E-02 DAV: 6 -0.713078846459E+02 0.43172E-04 -0.42653E-04 512 0.117E-01 0.317E-02 DAV: 7 -0.713078692732E+02 0.15373E-04 -0.97324E-05 488 0.615E-02 0.676E-03 DAV: 8 -0.713078687782E+02 0.49498E-06 -0.56668E-06 216 0.161E-02 25 F= -.71307869E+02 E0= -.71312844E+02 d E =-.215734E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.713079353620E+02 -0.66089E-04 -0.45806E-02 288 0.700E-01 0.216E-02 DAV: 2 -0.713080020357E+02 -0.66674E-04 -0.71950E-04 416 0.127E-01 0.201E-02 DAV: 3 -0.713080042404E+02 -0.22047E-05 -0.80018E-05 432 0.622E-02 0.258E-02 DAV: 4 -0.713079974758E+02 0.67646E-05 -0.56131E-05 304 0.461E-02 0.149E-02 DAV: 5 -0.713079951412E+02 0.23346E-05 -0.14756E-05 232 0.261E-02 0.964E-03 DAV: 6 -0.713079957629E+02 -0.62174E-06 -0.22784E-05 432 0.281E-02 0.100E-02 DAV: 7 -0.713079940739E+02 0.16890E-05 -0.80406E-06 192 0.231E-02 0.277E-03 DAV: 8 -0.713079940430E+02 0.30903E-07 -0.15754E-06 144 0.782E-03 26 F= -.71307994E+02 E0= -.71312982E+02 d E =-.125265E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.713074753883E+02 0.51869E-03 -0.41222E-01 288 0.210E+00 0.628E-02 DAV: 2 -0.713080588634E+02 -0.58348E-03 -0.63057E-03 400 0.372E-01 0.590E-02 DAV: 3 -0.713080368375E+02 0.22026E-04 -0.47738E-04 432 0.163E-01 0.529E-02 DAV: 4 -0.713080242008E+02 0.12637E-04 -0.28480E-04 464 0.105E-01 0.487E-02 DAV: 5 -0.713080030434E+02 0.21157E-04 -0.21679E-04 488 0.894E-02 0.327E-02 DAV: 6 -0.713080001321E+02 0.29113E-05 -0.18927E-04 456 0.792E-02 0.292E-02 DAV: 7 -0.713079863386E+02 0.13793E-04 -0.82854E-05 504 0.647E-02 0.824E-03 DAV: 8 -0.713079855460E+02 0.79259E-06 -0.88976E-06 192 0.213E-02 This is a random line I can aFFord to write 27 F= -.71307986E+02 E0= -.71313032E+02 d E =-.116768E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.713079949209E+02 -0.85823E-05 -0.69081E-03 288 0.276E-01 0.981E-03 DAV: 2 -0.713080103408E+02 -0.15420E-04 -0.13982E-04 416 0.620E-02 0.210E-02 DAV: 3 -0.713080066248E+02 0.37160E-05 -0.50354E-05 376 0.475E-02 0.120E-02 DAV: 4 -0.713080050124E+02 0.16124E-05 -0.12527E-05 192 0.235E-02 0.648E-03 DAV: 5 -0.713080045440E+02 0.46845E-06 -0.27869E-06 144 0.120E-02 28 F= -.71308005E+02 E0= -.71313047E+02 d E =-.189979E-04 N E dE d eps ncg rms rms(c) DAV: 1 -0.713079068735E+02 0.98139E-04 -0.62257E-02 288 0.828E-01 0.273E-02 DAV: 2 -0.713080370875E+02 -0.13021E-03 -0.11651E-03 416 0.172E-01 0.615E-02 DAV: 3 -0.713079996694E+02 0.37418E-04 -0.39250E-04 416 0.131E-01 0.313E-02 DAV: 4 -0.713079904290E+02 0.92405E-05 -0.91052E-05 480 0.599E-02 0.192E-02 DAV: 5 -0.713079858525E+02 0.45765E-05 -0.26725E-05 384 0.319E-02 0.117E-02 DAV: 6 -0.713079869287E+02 -0.10762E-05 -0.28786E-05 432 0.321E-02 0.126E-02 DAV: 7 -0.713079843472E+02 0.25815E-05 -0.12157E-05 208 0.286E-02 0.291E-03 DAV: 8 -0.713079843973E+02 -0.50097E-07 -0.21679E-06 144 0.987E-03 29 F= -.71307984E+02 E0= -.71313061E+02 d E =0.114874E-05 N E dE d eps ncg rms rms(c) DAV: 1 -0.713079068735E+02 0.98139E-04 -0.62257E-02 288 0.828E-01 0.273E-02 DAV: 2 -0.713080370875E+02 -0.13021E-03 -0.11651E-03 416 0.172E-01 0.615E-02 DAV: 3 -0.713079996694E+02 0.37418E-04 -0.39250E-04 416 0.131E-01 0.313E-02 DAV: 4 -0.713079904290E+02 0.92405E-05 -0.91052E-05 480 0.599E-02 0.192E-02 DAV: 5 -0.713079858525E+02 0.45765E-05 -0.26725E-05 384 0.319E-02 0.117E-02 DAV: 6 -0.713079869287E+02 -0.10762E-05 -0.28786E-05 432 0.321E-02 0.126E-02 DAV: 7 -0.713079843472E+02 0.25815E-05 -0.12157E-05 208 0.286E-02 0.291E-03 DAV: 8 -0.713079843973E+02 -0.50097E-07 -0.21679E-06 144 0.987E-03 29 F= -.71217734E+02 EO= -.71213045E+01 d E =0.124354E-04 This file has been taken from student exercise -.71313047E -0.713079858525E -0.713079858525E-0.13982E-04 0.37160E-05 0.37160E-050.37160E-050.37160E-050.16124E-05 0.16124E-050.16124E-050.16124E-05 this is the first line