Running VASP on 64 cores : Using executable /home/medea/MD/TaskServer/Tools/vasp6.3.2/Linux-x86_64/vasp_ncl running on 64 total cores distrk: each k-point on 64 cores, 1 groups distr: one band on 1 cores, 64 groups vasp.6.3.2 27Jun22 (build Oct 31 2022 02:11:08) complex MD_VERSION_INFO: Compiled 2022-10-31T01:41:03-UTC in mrdevlin:/home/medea/data/ build/vasp6.3.2/17539/x86_64/src/src/build/ncl from svn 17539 This VASP executable licensed from Materials Design, Inc. POSCAR found : 3 types and 14 ions ----------------------------------------------------------------------------- | | | W W AA RRRRR N N II N N GGGG !!! | | W W A A R R NN N II NN N G G !!! | | W W A A R R N N N II N N N G !!! | | W WW W AAAAAA RRRRR N N N II N N N G GGG ! | | WW WW A A R R N NN II N NN G G | | W W A A R R N N II N N GGGG !!! | | | | You use a magnetic or noncollinear calculation, but did not specify | | the initial magnetic moment with the MAGMOM tag. Note that a | | default of 1 will be used for all atoms. This ferromagnetic setup | | may break the symmetry of the crystal, in particular it may rule | | out finding an antiferromagnetic solution. Thence, we recommend | | setting the initial magnetic moment manually or verifying carefully | | that this magnetic setup is desired. | | | ----------------------------------------------------------------------------- scaLAPACK is switched off ----------------------------------------------------------------------------- | | | W W AA RRRRR N N II N N GGGG !!! | | W W A A R R NN N II NN N G G !!! | | W W A A R R N N N II N N N G !!! | | W WW W AAAAAA RRRRR N N N II N N N G GGG ! | | WW WW A A R R N NN II N NN G G | | W W A A R R N N II N N GGGG !!! | | | | For optimal performance we recommend to set | | NCORE = 2 up to number-of-cores-per-socket | | NCORE specifies how many cores store one orbital (NPAR=cpu/NCORE). | | This setting can greatly improve the performance of VASP for DFT. | | The default, NCORE=1 might be grossly inefficient on modern | | multi-core architectures or massively parallel machines. Do your | | own testing! More info at https://www.vasp.at/wiki/index.php/NCORE | | Unfortunately you need to use the default for GW and RPA | | calculations (for HF NCORE is supported but not extensively tested | | yet). | | | ----------------------------------------------------------------------------- LDA part: xc-table for Pade appr. of Perdew ----------------------------------------------------------------------------- | | | W W AA RRRRR N N II N N GGGG !!! | | W W A A R R NN N II NN N G G !!! | | W W A A R R N N N II N N N G !!! | | W WW W AAAAAA RRRRR N N N II N N N G GGG ! | | WW WW A A R R N NN II N NN G G | | W W A A R R N N II N N GGGG !!! | | | | The number of bands has been changed from the values supplied in | | the INCAR file. This is a result of running the parallel version. | | The orbitals not found in the WAVECAR file will be initialized with | | random numbers, which is usually adequate. For correlated | | calculations, however, you should redo the groundstate calculation. | | I found NBANDS = 280. Now, NBANDS = 320. | | | ----------------------------------------------------------------------------- POSCAR, INCAR and KPOINTS ok, starting setup FFT: planning ... GRIDC FFT: planning ... GRID_SOFT FFT: planning ... GRID WAVECAR not read entering main loop N E dE d eps ncg rms ort DAV: 1 0.728440106247E+04 0.72844E+04 -0.50198E+04 16320 0.755E+02 DAV: 2 0.659002171466E+04 -0.69438E+03 -0.62700E+03 16320 0.175E+02 DAV: 3 0.644662903279E+04 -0.14339E+03 -0.13004E+03 16320 0.795E+01 DAV: 4 0.641178074623E+04 -0.34848E+02 -0.33619E+02 16320 0.391E+01 DAV: 5 0.640827662393E+04 -0.35041E+01 -0.33848E+01 16320 0.120E+01 gam= 0.000 g(H,U,f)= 0.431E+03 0.296E+03 0.450E+01 ort(H,U,f) = 0.000E+00 0.000E+00 0.000E+00 SDA: 6 0.510181421751E+04 -0.13065E+04 -0.29268E+03 16320 0.732E+03 0.000E+00 gam= 0.382 g(H,U,f)= 0.207E+03 0.106E+03 0.165E+02 ort(H,U,f) = 0.193E+03 0.145E+03 0.233E+02 DMP: 7 0.486850409264E+04 -0.23331E+03 -0.18742E+03 16320 0.330E+03 0.362E+03 gam= 0.382 g(H,U,f)= 0.779E+02 0.244E+02 0.395E-02 ort(H,U,f) = 0.231E+02 0.605E+02 0.728E-02 DMP: 8 0.475752936178E+04 -0.11097E+03 -0.53733E+02 16320 0.102E+03 0.837E+02 gam= 0.382 g(H,U,f)= 0.358E+02 0.533E+01 0.812E-16 ort(H,U,f) = 0.607E+01 0.159E+02 0.221E-15 DMP: 9 0.472472410058E+04 -0.32805E+02 -0.19802E+02 16320 0.411E+02 0.220E+02 gam= 0.382 g(H,U,f)= 0.118E+02 0.195E+01 0.754E-17 ort(H,U,f) = 0.338E+01 0.600E+01 0.269E-16 DMP: 10 0.471150001581E+04 -0.13224E+02 -0.69502E+01 16320 0.138E+02 0.938E+01 gam= 0.382 g(H,U,f)= 0.521E+01 0.106E+01 0.386E-09 ort(H,U,f) =-0.167E+01 0.311E+01 0.125E-08 DMP: 11 0.470721000553E+04 -0.42900E+01 -0.27275E+01 16320 0.627E+01 0.144E+01 gam= 0.382 g(H,U,f)= 0.325E+01 0.660E+00 0.142E-15 ort(H,U,f) = 0.579E+00 0.164E+01 0.971E-15 DMP: 12 0.470647935923E+04 -0.73065E+00 -0.19052E+01 16320 0.391E+01 0.222E+01 gam= 0.382 g(H,U,f)= 0.107E+01 0.330E+00 0.967E-17 ort(H,U,f) = 0.113E+01 0.873E+00 0.403E-16 DMP: 13 0.470696037321E+04 0.48101E+00 -0.86648E+00 16320 0.140E+01 0.200E+01 gam= 0.382 g(H,U,f)= 0.364E+00 0.132E+00 0.161E-13 ort(H,U,f) = 0.287E+00 0.409E+00 0.955E-13 DMP: 14 0.470793388916E+04 0.97352E+00 -0.30451E+00 16320 0.495E+00 0.696E+00 gam= 0.382 g(H,U,f)= 0.175E+00 0.520E-01 0.213E-15 ort(H,U,f) = 0.919E-01 0.174E+00 0.235E-14 DMP: 15 0.470861416454E+04 0.68028E+00 -0.13156E+00 16320 0.227E+00 0.266E+00 gam= 0.382 g(H,U,f)= 0.641E-01 0.252E-01 0.819E-17 ort(H,U,f) = 0.528E-01 0.790E-01-0.139E-17 DMP: 16 0.470890915410E+04 0.29499E+00 -0.55853E-01 16320 0.893E-01 0.132E+00 gam= 0.382 g(H,U,f)= 0.233E-01 0.148E-01 0.811E-18 ort(H,U,f) = 0.148E-01 0.410E-01 0.792E-18 DMP: 17 0.470902562891E+04 0.11647E+00 -0.23748E-01 16320 0.381E-01 0.558E-01 gam= 0.382 g(H,U,f)= 0.107E-01 0.930E-02 0.713E-18 ort(H,U,f) = 0.461E-02 0.236E-01 0.940E-18 DMP: 18 0.470910728314E+04 0.81654E-01 -0.12303E-01 16320 0.200E-01 0.282E-01 gam= 0.382 g(H,U,f)= 0.515E-02 0.605E-02 0.191E-16 ort(H,U,f) = 0.348E-02 0.145E-01 0.404E-16 DMP: 19 0.470918751494E+04 0.80232E-01 -0.72194E-02 16320 0.112E-01 0.179E-01 gam= 0.382 g(H,U,f)= 0.225E-02 0.389E-02 0.570E-16 ort(H,U,f) = 0.231E-02 0.917E-02 0.162E-15 DMP: 20 0.470926875326E+04 0.81238E-01 -0.42089E-02 16320 0.614E-02 0.115E-01 gam= 0.382 g(H,U,f)= 0.106E-02 0.246E-02 0.185E-22 ort(H,U,f) = 0.117E-02 0.583E-02 0.296E-22 DMP: 21 0.470934605648E+04 0.77303E-01 -0.24753E-02 16320 0.352E-02 0.699E-02 gam= 0.382 g(H,U,f)= 0.624E-03 0.156E-02 0.613E-20 ort(H,U,f) = 0.700E-03 0.371E-02 0.114E-19 DMP: 22 0.470941424094E+04 0.68184E-01 -0.15454E-02 16320 0.218E-02 0.441E-02 gam= 0.382 g(H,U,f)= 0.366E-03 0.993E-03 0.735E-18 ort(H,U,f) = 0.520E-03 0.236E-02 0.154E-17 DMP: 23 0.470947145838E+04 0.57217E-01 -0.98420E-03 16320 0.136E-02 0.288E-02 gam= 0.382 g(H,U,f)= 0.192E-03 0.643E-03 0.182E-16 ort(H,U,f) = 0.346E-03 0.152E-02 0.418E-16 DMP: 24 0.470951742531E+04 0.45967E-01 -0.61909E-03 16320 0.835E-03 0.187E-02 gam= 0.382 g(H,U,f)= 0.102E-03 0.424E-03 0.328E-15 ort(H,U,f) = 0.205E-03 0.988E-03 0.803E-15 DMP: 25 0.470955314394E+04 0.35719E-01 -0.39271E-03 16320 0.526E-03 0.119E-02 gam= 0.382 g(H,U,f)= 0.631E-04 0.286E-03 0.450E-14 ort(H,U,f) = 0.126E-03 0.654E-03 0.115E-13 DMP: 26 0.470958032496E+04 0.27181E-01 -0.25894E-03 16320 0.349E-03 0.780E-03 gam= 0.382 g(H,U,f)= 0.451E-04 0.200E-03 0.951E-16 ort(H,U,f) = 0.878E-04 0.444E-03 0.192E-15 DMP: 27 0.470960095725E+04 0.20632E-01 -0.17913E-03 16320 0.245E-03 0.532E-03 gam= 0.382 g(H,U,f)= 0.355E-04 0.144E-03 0.198E-14 ort(H,U,f) = 0.678E-04 0.311E-03 0.390E-14 DMP: 28 0.470961684944E+04 0.15892E-01 -0.12974E-03 16320 0.180E-03 0.379E-03 gam= 0.382 g(H,U,f)= 0.299E-04 0.108E-03 0.948E-15 ort(H,U,f) = 0.558E-04 0.225E-03 0.185E-14 DMP: 29 0.470962932034E+04 0.12471E-01 -0.98261E-04 16320 0.138E-03 0.281E-03 gam= 0.382 g(H,U,f)= 0.266E-04 0.848E-04 0.931E-25 ort(H,U,f) = 0.483E-04 0.170E-03 0.248E-24 DMP: 30 0.470963921468E+04 0.98943E-02 -0.77889E-04 16320 0.111E-03 0.218E-03 gam= 0.382 g(H,U,f)= 0.246E-04 0.693E-04 0.376E-23 ort(H,U,f) = 0.437E-04 0.134E-03 0.101E-22 DMP: 31 0.470964709299E+04 0.78783E-02 -0.64650E-04 16320 0.939E-04 0.177E-03 gam= 0.382 g(H,U,f)= 0.236E-04 0.592E-04 0.122E-21 ort(H,U,f) = 0.409E-04 0.110E-03 0.331E-21 DMP: 32 0.470965337498E+04 0.62820E-02 -0.56140E-04 16320 0.828E-04 0.151E-03 gam= 0.382 g(H,U,f)= 0.232E-04 0.528E-04 0.207E-20 ort(H,U,f) = 0.395E-04 0.943E-04 0.566E-20 DMP: 33 0.470965839121E+04 0.50162E-02 -0.50855E-04 16320 0.760E-04 0.134E-03 gam= 0.382 g(H,U,f)= 0.235E-04 0.489E-04 0.192E-19 ort(H,U,f) = 0.391E-04 0.845E-04 0.527E-19 DMP: 34 0.470966240379E+04 0.40126E-02 -0.47820E-04 16320 0.723E-04 0.124E-03 gam= 0.382 g(H,U,f)= 0.242E-04 0.467E-04 0.151E-18 ort(H,U,f) = 0.396E-04 0.786E-04 0.415E-18 DMP: 35 0.470966562612E+04 0.32223E-02 -0.46393E-04 16320 0.709E-04 0.118E-03 gam= 0.382 g(H,U,f)= 0.253E-04 0.458E-04 0.101E-17 ort(H,U,f) = 0.407E-04 0.754E-04 0.276E-17 DMP: 36 0.470966823371E+04 0.26076E-02 -0.46159E-04 16320 0.711E-04 0.116E-03 gam= 0.382 g(H,U,f)= 0.267E-04 0.458E-04 0.576E-17 ort(H,U,f) = 0.425E-04 0.741E-04 0.156E-16 DMP: 37 0.470967036656E+04 0.21328E-02 -0.46842E-04 16320 0.725E-04 0.117E-03 gam= 0.382 g(H,U,f)= 0.285E-04 0.466E-04 0.279E-16 ort(H,U,f) = 0.449E-04 0.744E-04 0.747E-16 DMP: 38 0.470967213320E+04 0.17666E-02 -0.48284E-04 16320 0.751E-04 0.119E-03 gam= 0.382 g(H,U,f)= 0.307E-04 0.480E-04 0.400E-16 ort(H,U,f) = 0.478E-04 0.759E-04 0.811E-16 DMP: 39 0.470967361705E+04 0.14838E-02 -0.50367E-04 16320 0.787E-04 0.124E-03 gam= 0.382 g(H,U,f)= 0.331E-04 0.500E-04 0.178E-15 ort(H,U,f) = 0.512E-04 0.784E-04 0.363E-15 DMP: 40 0.470967488427E+04 0.12672E-02 -0.53039E-04 16320 0.831E-04 0.130E-03 gam= 0.382 g(H,U,f)= 0.360E-04 0.524E-04 0.187E-16 ort(H,U,f) = 0.552E-04 0.817E-04 0.389E-16 DMP: 41 0.470967598787E+04 0.11036E-02 -0.56279E-04 16320 0.884E-04 0.137E-03 gam= 0.382 g(H,U,f)= 0.393E-04 0.554E-04 0.628E-16 ort(H,U,f) = 0.597E-04 0.858E-04 0.133E-15 DMP: 42 0.470967696965E+04 0.98179E-03 -0.60092E-04 16320 0.946E-04 0.146E-03 gam= 0.382 g(H,U,f)= 0.429E-04 0.588E-04 0.168E-15 ort(H,U,f) = 0.649E-04 0.908E-04 0.368E-15 DMP: 43 0.470967786445E+04 0.89480E-03 -0.64485E-04 16320 0.102E-03 0.156E-03 gam= 0.382 g(H,U,f)= 0.470E-04 0.628E-04 0.155E-28 ort(H,U,f) = 0.708E-04 0.965E-04 0.434E-28 DMP: 44 0.470967870069E+04 0.83624E-03 -0.69482E-04 16320 0.110E-03 0.167E-03 gam= 0.382 g(H,U,f)= 0.515E-04 0.673E-04 0.484E-28 ort(H,U,f) = 0.773E-04 0.103E-03 0.145E-27 DMP: 45 0.470967950188E+04 0.80119E-03 -0.75104E-04 16320 0.119E-03 0.180E-03 gam= 0.382 g(H,U,f)= 0.564E-04 0.724E-04 0.831E-28 ort(H,U,f) = 0.846E-04 0.111E-03 0.321E-27 DMP: 46 0.470968028769E+04 0.78582E-03 -0.81378E-04 16320 0.129E-03 0.195E-03 gam= 0.382 g(H,U,f)= 0.618E-04 0.782E-04 0.344E-28 ort(H,U,f) = 0.925E-04 0.119E-03 0.253E-27 DMP: 47 0.470968107468E+04 0.78698E-03 -0.88332E-04 16320 0.140E-03 0.212E-03 gam= 0.382 g(H,U,f)= 0.675E-04 0.846E-04 0.118E-26 ort(H,U,f) = 0.101E-03 0.129E-03-0.589E-28 DMP: 48 0.470968187760E+04 0.80292E-03 -0.95964E-04 16320 0.152E-03 0.230E-03 gam= 0.382 g(H,U,f)= 0.737E-04 0.917E-04 0.203E-25 ort(H,U,f) = 0.111E-03 0.139E-03 0.136E-25 DMP: 49 0.470968270895E+04 0.83135E-03 -0.10432E-03 16320 0.165E-03 0.250E-03 gam= 0.382 g(H,U,f)= 0.803E-04 0.995E-04 0.174E-24 ort(H,U,f) = 0.121E-03 0.151E-03 0.167E-24 DMP: 50 0.470968358016E+04 0.87121E-03 -0.11341E-03 16320 0.180E-03 0.271E-03 gam= 0.382 g(H,U,f)= 0.874E-04 0.108E-03 0.107E-23 ort(H,U,f) = 0.131E-03 0.164E-03 0.119E-23 DMP: 51 0.470968450208E+04 0.92193E-03 -0.12328E-03 16320 0.195E-03 0.295E-03 gam= 0.382 g(H,U,f)= 0.950E-04 0.117E-03 0.538E-23 ort(H,U,f) = 0.143E-03 0.178E-03 0.641E-23 DMP: 52 0.470968548476E+04 0.98267E-03 -0.13394E-03 16320 0.212E-03 0.321E-03 gam= 0.382 g(H,U,f)= 0.103E-03 0.127E-03 0.233E-22 ort(H,U,f) = 0.155E-03 0.193E-03 0.291E-22 DMP: 53 0.470968653779E+04 0.10530E-02 -0.14545E-03 16320 0.231E-03 0.348E-03 gam= 0.382 g(H,U,f)= 0.112E-03 0.138E-03 0.901E-22 ort(H,U,f) = 0.169E-03 0.210E-03 0.116E-21 DMP: 54 0.470968767063E+04 0.11328E-02 -0.15785E-03 16320 0.250E-03 0.378E-03 gam= 0.382 g(H,U,f)= 0.121E-03 0.150E-03 0.319E-21 ort(H,U,f) = 0.183E-03 0.228E-03 0.422E-21 DMP: 55 0.470968889251E+04 0.12219E-02 -0.17117E-03 16320 0.271E-03 0.410E-03 gam= 0.382 g(H,U,f)= 0.131E-03 0.163E-03 0.105E-20 ort(H,U,f) = 0.198E-03 0.247E-03 0.141E-20 DMP: 56 0.470969021273E+04 0.13202E-02 -0.18546E-03 16320 0.294E-03 0.445E-03 gam= 0.382 g(H,U,f)= 0.141E-03 0.177E-03 0.324E-20 ort(H,U,f) = 0.214E-03 0.268E-03 0.444E-20 DMP: 57 0.470969164079E+04 0.14281E-02 -0.20077E-03 16320 0.318E-03 0.482E-03 gam= 0.382 g(H,U,f)= 0.152E-03 0.191E-03 0.952E-20 ort(H,U,f) = 0.231E-03 0.290E-03 0.132E-19 DMP: 58 0.470969318639E+04 0.15456E-02 -0.21714E-03 16320 0.344E-03 0.522E-03 gam= 0.382 g(H,U,f)= 0.164E-03 0.207E-03 0.267E-19 ort(H,U,f) = 0.250E-03 0.314E-03 0.374E-19 DMP: 59 0.470969485957E+04 0.16732E-02 -0.23462E-03 16320 0.371E-03 0.564E-03 gam= 0.382 g(H,U,f)= 0.177E-03 0.224E-03 0.716E-19 ort(H,U,f) = 0.269E-03 0.340E-03 0.101E-18 DMP: 60 0.470969667081E+04 0.18112E-02 -0.25325E-03 16320 0.400E-03 0.609E-03 gam= 0.382 g(H,U,f)= 0.190E-03 0.241E-03 0.185E-18 ort(H,U,f) = 0.290E-03 0.367E-03 0.264E-18 DMP: 61 0.470969863094E+04 0.19601E-02 -0.27307E-03 16320 0.432E-03 0.657E-03 gam= 0.382 g(H,U,f)= 0.205E-03 0.260E-03 0.461E-18 ort(H,U,f) = 0.312E-03 0.396E-03 0.661E-18 DMP: 62 0.470970075135E+04 0.21204E-02 -0.29411E-03 16320 0.465E-03 0.708E-03 gam= 0.382 g(H,U,f)= 0.220E-03 0.280E-03 0.111E-17 ort(H,U,f) = 0.336E-03 0.427E-03 0.160E-17 DMP: 63 0.470970304390E+04 0.22926E-02 -0.31642E-03 16320 0.500E-03 0.762E-03 gam= 0.382 g(H,U,f)= 0.236E-03 0.301E-03 0.259E-17 ort(H,U,f) = 0.361E-03 0.459E-03 0.376E-17 DMP: 64 0.470970552102E+04 0.24771E-02 -0.34001E-03 16320 0.537E-03 0.820E-03 gam= 0.382 g(H,U,f)= 0.253E-03 0.323E-03 0.588E-17 ort(H,U,f) = 0.387E-03 0.493E-03 0.855E-17 DMP: 65 0.470970819561E+04 0.26746E-02 -0.36492E-03 16320 0.576E-03 0.880E-03 gam= 0.382 g(H,U,f)= 0.271E-03 0.346E-03 0.129E-16 ort(H,U,f) = 0.415E-03 0.529E-03 0.189E-16 DMP: 66 0.470971108119E+04 0.28856E-02 -0.39116E-03 16320 0.617E-03 0.944E-03 gam= 0.382 g(H,U,f)= 0.290E-03 0.370E-03 0.223E-16 ort(H,U,f) = 0.444E-03 0.567E-03 0.331E-16 DMP: 67 0.470971419181E+04 0.31106E-02 -0.41874E-03 16320 0.661E-03 0.101E-02 gam= 0.382 g(H,U,f)= 0.310E-03 0.396E-03 0.463E-16 ort(H,U,f) = 0.475E-03 0.607E-03 0.691E-16 DMP: 68 0.470971754200E+04 0.33502E-02 -0.44767E-03 16320 0.706E-03 0.108E-02 gam= 0.382 g(H,U,f)= 0.331E-03 0.422E-03 0.939E-16 ort(H,U,f) = 0.508E-03 0.648E-03 0.140E-15 DMP: 69 0.470972114691E+04 0.36049E-02 -0.47796E-03 16320 0.753E-03 0.116E-02 gam= 0.382 g(H,U,f)= 0.353E-03 0.450E-03 0.186E-15 ort(H,U,f) = 0.542E-03 0.691E-03 0.278E-15 DMP: 70 0.470972502208E+04 0.38752E-02 -0.50958E-03 16320 0.803E-03 0.123E-02 gam= 0.382 g(H,U,f)= 0.376E-03 0.479E-03 0.358E-15 ort(H,U,f) = 0.577E-03 0.736E-03 0.538E-15 DMP: 71 0.470972918370E+04 0.41616E-02 -0.54255E-03 16320 0.855E-03 0.131E-02 gam= 0.382 g(H,U,f)= 0.400E-03 0.508E-03 0.675E-15 ort(H,U,f) = 0.615E-03 0.783E-03 0.102E-14 DMP: 72 0.470973364819E+04 0.44645E-02 -0.57682E-03 16320 0.908E-03 0.140E-02 gam= 0.382 g(H,U,f)= 0.425E-03 0.539E-03 0.124E-14 ort(H,U,f) = 0.653E-03 0.831E-03 0.188E-14 DMP: 73 0.470973843248E+04 0.47843E-02 -0.61239E-03 16320 0.964E-03 0.148E-02 gam= 0.382 g(H,U,f)= 0.450E-03 0.571E-03 0.224E-14 ort(H,U,f) = 0.694E-03 0.881E-03 0.339E-14 DMP: 74 0.470974355383E+04 0.51213E-02 -0.64922E-03 16320 0.102E-02 0.158E-02 gam= 0.382 g(H,U,f)= 0.477E-03 0.604E-03 0.108E-15 ort(H,U,f) = 0.736E-03 0.933E-03 0.163E-15 DMP: 75 0.470974902981E+04 0.54760E-02 -0.68729E-03 16320 0.108E-02 0.167E-02 gam= 0.382 g(H,U,f)= 0.505E-03 0.637E-03 0.194E-15 ort(H,U,f) = 0.779E-03 0.986E-03 0.295E-15 DMP: 76 0.470975487827E+04 0.58485E-02 -0.72658E-03 16320 0.114E-02 0.177E-02 gam= 0.382 g(H,U,f)= 0.534E-03 0.672E-03 0.342E-15 ort(H,U,f) = 0.824E-03 0.104E-02 0.520E-15 DMP: 77 0.470976111718E+04 0.62389E-02 -0.76705E-03 16320 0.121E-02 0.186E-02 gam= 0.382 g(H,U,f)= 0.563E-03 0.707E-03 0.590E-15 ort(H,U,f) = 0.871E-03 0.110E-02 0.899E-15 DMP: 78 0.470976776474E+04 0.66476E-02 -0.80870E-03 16320 0.127E-02 0.197E-02 gam= 0.382 g(H,U,f)= 0.594E-03 0.743E-03 0.994E-15 ort(H,U,f) = 0.919E-03 0.115E-02 0.152E-14 DMP: 79 0.470977483923E+04 0.70745E-02 -0.85151E-03 16320 0.134E-02 0.207E-02 gam= 0.382 g(H,U,f)= 0.626E-03 0.780E-03 0.164E-14 ort(H,U,f) = 0.969E-03 0.121E-02 0.251E-14 DMP: 80 0.470978235913E+04 0.75199E-02 -0.89550E-03 16320 0.141E-02 0.218E-02 gam= 0.382 g(H,U,f)= 0.658E-03 0.818E-03 0.162E-27 ort(H,U,f) = 0.102E-02 0.127E-02 0.232E-27 DMP: 81 0.470979034289E+04 0.79838E-02 -0.94067E-03 16320 0.148E-02 0.229E-02 gam= 0.382 g(H,U,f)= 0.692E-03 0.856E-03 0.322E-27 ort(H,U,f) = 0.107E-02 0.133E-02 0.462E-27 DMP: 82 0.470979880924E+04 0.84663E-02 -0.98708E-03 16320 0.155E-02 0.241E-02 gam= 0.382 g(H,U,f)= 0.727E-03 0.896E-03 0.578E-27 ort(H,U,f) = 0.113E-02 0.140E-02 0.835E-27 DMP: 83 0.470980777707E+04 0.89678E-02 -0.10348E-02 16320 0.162E-02 0.252E-02 gam= 0.382 g(H,U,f)= 0.764E-03 0.936E-03 0.827E-27 ort(H,U,f) = 0.118E-02 0.146E-02 0.121E-26 DMP: 84 0.470981726566E+04 0.94886E-02 -0.10838E-02 16320 0.170E-02 0.264E-02 gam= 0.382 g(H,U,f)= 0.801E-03 0.977E-03 0.101E-26 ort(H,U,f) = 0.124E-02 0.153E-02 0.152E-26 DMP: 85 0.470982729467E+04 0.10029E-01 -0.11344E-02 16320 0.178E-02 0.277E-02 gam= 0.382 g(H,U,f)= 0.840E-03 0.102E-02 0.968E-27 ort(H,U,f) = 0.130E-02 0.159E-02 0.151E-26 DMP: 86 0.470983788441E+04 0.10590E-01 -0.11865E-02 16320 0.186E-02 0.290E-02 gam= 0.382 g(H,U,f)= 0.881E-03 0.106E-02 0.660E-27 ort(H,U,f) = 0.137E-02 0.166E-02 0.109E-26 DMP: 87 0.470984905608E+04 0.11172E-01 -0.12404E-02 16320 0.194E-02 0.303E-02 gam= 0.382 g(H,U,f)= 0.923E-03 0.111E-02 0.130E-26 ort(H,U,f) = 0.143E-02 0.173E-02 0.176E-26 DMP: 88 0.470986083210E+04 0.11776E-01 -0.12961E-02 16320 0.203E-02 0.317E-02 gam= 0.382 g(H,U,f)= 0.967E-03 0.115E-02 0.843E-26 ort(H,U,f) = 0.150E-02 0.181E-02 0.108E-25 DMP: 89 0.470987323639E+04 0.12404E-01 -0.13538E-02 16320 0.212E-02 0.331E-02 gam= 0.382 g(H,U,f)= 0.101E-02 0.120E-02 0.328E-25 ort(H,U,f) = 0.157E-02 0.188E-02 0.428E-25 DMP: 90 0.470988629479E+04 0.13058E-01 -0.14138E-02 16320 0.222E-02 0.345E-02 gam= 0.382 g(H,U,f)= 0.106E-02 0.125E-02 0.977E-25 ort(H,U,f) = 0.165E-02 0.196E-02 0.130E-24 DMP: 91 0.470990003544E+04 0.13741E-01 -0.14760E-02 16320 0.231E-02 0.361E-02 gam= 0.382 g(H,U,f)= 0.111E-02 0.130E-02 0.247E-24 ort(H,U,f) = 0.172E-02 0.204E-02 0.333E-24 DMP: 92 0.470991448906E+04 0.14454E-01 -0.15405E-02 16320 0.241E-02 0.376E-02 gam= 0.382 g(H,U,f)= 0.116E-02 0.136E-02 0.559E-24 ort(H,U,f) = 0.180E-02 0.213E-02 0.763E-24 DMP: 93 0.470992968940E+04 0.15200E-01 -0.16075E-02 16320 0.252E-02 0.393E-02 gam= 0.382 g(H,U,f)= 0.121E-02 0.142E-02 0.116E-23 ort(H,U,f) = 0.188E-02 0.221E-02 0.160E-23 DMP: 94 0.470994567343E+04 0.15984E-01 -0.16769E-02 16320 0.263E-02 0.410E-02 gam= 0.382 g(H,U,f)= 0.126E-02 0.147E-02 0.227E-23 ort(H,U,f) = 0.197E-02 0.231E-02 0.315E-23 DMP: 95 0.470996248155E+04 0.16808E-01 -0.17486E-02 16320 0.274E-02 0.428E-02 gam= 0.382 g(H,U,f)= 0.132E-02 0.154E-02 0.419E-23 ort(H,U,f) = 0.206E-02 0.240E-02 0.587E-23 DMP: 96 0.470998015765E+04 0.17676E-01 -0.18227E-02 16320 0.285E-02 0.446E-02 gam= 0.382 g(H,U,f)= 0.137E-02 0.160E-02 0.736E-23 ort(H,U,f) = 0.214E-02 0.250E-02 0.104E-22 DMP: 97 0.470999874907E+04 0.18591E-01 -0.18989E-02 16320 0.297E-02 0.465E-02 gam= 0.382 g(H,U,f)= 0.143E-02 0.167E-02 0.124E-22 ort(H,U,f) = 0.223E-02 0.261E-02 0.176E-22 DMP: 98 0.471001830648E+04 0.19557E-01 -0.19773E-02 16320 0.309E-02 0.484E-02 gam= 0.382 g(H,U,f)= 0.149E-02 0.173E-02 0.200E-22 ort(H,U,f) = 0.232E-02 0.271E-02 0.286E-22 DMP: 99 0.471003888376E+04 0.20577E-01 -0.20578E-02 16320 0.322E-02 0.504E-02 gam= 0.382 g(H,U,f)= 0.154E-02 0.181E-02 0.309E-22 ort(H,U,f) = 0.242E-02 0.283E-02 0.446E-22 DMP: 100 0.471006053767E+04 0.21654E-01 -0.21405E-02 16320 0.335E-02 0.524E-02 gam= 0.382 g(H,U,f)= 0.160E-02 0.188E-02 0.461E-22 ort(H,U,f) = 0.251E-02 0.294E-02 0.671E-22 DMP: 101 0.471008332754E+04 0.22790E-01 -0.22253E-02 16320 0.348E-02 0.545E-02 gam= 0.382 g(H,U,f)= 0.166E-02 0.196E-02 0.663E-22 ort(H,U,f) = 0.261E-02 0.306E-02 0.972E-22 DMP: 102 0.471010731447E+04 0.23987E-01 -0.23126E-02 16320 0.362E-02 0.567E-02 gam= 0.382 g(H,U,f)= 0.172E-02 0.204E-02 0.922E-22 ort(H,U,f) = 0.270E-02 0.319E-02 0.136E-21 DMP: 103 0.471013256106E+04 0.25247E-01 -0.24024E-02 16320 0.376E-02 0.589E-02 gam= 0.382 g(H,U,f)= 0.178E-02 0.212E-02 0.124E-21 ort(H,U,f) = 0.280E-02 0.332E-02 0.184E-21 DMP: 104 0.471015913063E+04 0.26570E-01 -0.24951E-02 16320 0.390E-02 0.612E-02 gam= 0.382 g(H,U,f)= 0.184E-02 0.221E-02 0.162E-21 ort(H,U,f) = 0.290E-02 0.345E-02 0.241E-21 DMP: 105 0.471018708760E+04 0.27957E-01 -0.25910E-02 16320 0.405E-02 0.635E-02 gam= 0.382 g(H,U,f)= 0.191E-02 0.230E-02 0.204E-21 ort(H,U,f) = 0.301E-02 0.359E-02 0.306E-21 DMP: 106 0.471021649854E+04 0.29411E-01 -0.26905E-02 16320 0.421E-02 0.660E-02 gam= 0.382 g(H,U,f)= 0.198E-02 0.239E-02 0.249E-21 ort(H,U,f) = 0.311E-02 0.374E-02 0.377E-21 DMP: 107 0.471024741576E+04 0.30917E-01 -0.27943E-02 16320 0.437E-02 0.685E-02 gam= 0.382 g(H,U,f)= 0.205E-02 0.249E-02 0.296E-21 ort(H,U,f) = 0.323E-02 0.389E-02 0.450E-21 DMP: 108 0.471027991330E+04 0.32498E-01 -0.29029E-02 16320 0.454E-02 0.712E-02 gam= 0.382 g(H,U,f)= 0.213E-02 0.259E-02 0.342E-21 ort(H,U,f) = 0.335E-02 0.405E-02 0.523E-21 DMP: 109 0.471031406262E+04 0.34149E-01 -0.30161E-02 16320 0.472E-02 0.740E-02 gam= 0.382 g(H,U,f)= 0.220E-02 0.269E-02 0.385E-21 ort(H,U,f) = 0.347E-02 0.422E-02 0.591E-21 DMP: 110 0.471034993098E+04 0.35868E-01 -0.31339E-02 16320 0.490E-02 0.768E-02 gam= 0.382 g(H,U,f)= 0.229E-02 0.280E-02 0.422E-21 ort(H,U,f) = 0.360E-02 0.439E-02 0.651E-21 DMP: 111 0.471038759080E+04 0.37660E-01 -0.32562E-02 16320 0.509E-02 0.798E-02 gam= 0.382 g(H,U,f)= 0.237E-02 0.291E-02 0.452E-21 ort(H,U,f) = 0.373E-02 0.456E-02 0.699E-21 DMP: 112 0.471042709419E+04 0.39503E-01 -0.33833E-02 16320 0.529E-02 0.830E-02 gam= 0.382 g(H,U,f)= 0.247E-02 0.303E-02 0.473E-21 ort(H,U,f) = 0.388E-02 0.474E-02 0.733E-21 DMP: 113 0.471046852368E+04 0.41429E-01 -0.35143E-02 16320 0.549E-02 0.862E-02 gam= 0.382 g(H,U,f)= 0.256E-02 0.314E-02 0.483E-21 ort(H,U,f) = 0.402E-02 0.493E-02 0.751E-21 DMP: 114 0.471051194114E+04 0.43417E-01 -0.36491E-02 16320 0.570E-02 0.895E-02 gam= 0.382 g(H,U,f)= 0.266E-02 0.326E-02 0.482E-21 ort(H,U,f) = 0.418E-02 0.511E-02 0.750E-21 DMP: 115 0.471055739885E+04 0.45458E-01 -0.37876E-02 16320 0.592E-02 0.929E-02 gam= 0.382 g(H,U,f)= 0.276E-02 0.338E-02 0.470E-21 ort(H,U,f) = 0.433E-02 0.530E-02 0.732E-21 DMP: 116 0.471060498095E+04 0.47582E-01 -0.39290E-02 16320 0.614E-02 0.964E-02 gam= 0.382 g(H,U,f)= 0.286E-02 0.350E-02 0.447E-21 ort(H,U,f) = 0.450E-02 0.550E-02 0.698E-21 DMP: 117 0.471065474579E+04 0.49765E-01 -0.40728E-02 16320 0.636E-02 0.999E-02 gam= 0.382 g(H,U,f)= 0.297E-02 0.362E-02 0.414E-21 ort(H,U,f) = 0.467E-02 0.569E-02 0.648E-21 DMP: 118 0.471070673692E+04 0.51991E-01 -0.42193E-02 16320 0.659E-02 0.104E-01 gam= 0.382 g(H,U,f)= 0.308E-02 0.375E-02 0.374E-21 ort(H,U,f) = 0.484E-02 0.589E-02 0.587E-21 DMP: 119 0.471076102745E+04 0.54291E-01 -0.43674E-02 16320 0.682E-02 0.107E-01 gam= 0.382 g(H,U,f)= 0.319E-02 0.387E-02 0.330E-21 ort(H,U,f) = 0.501E-02 0.608E-02 0.518E-21 DMP: 120 0.471081768920E+04 0.56662E-01 -0.45160E-02 16320 0.705E-02 0.111E-01 gam= 0.382 g(H,U,f)= 0.330E-02 0.399E-02 0.283E-21 ort(H,U,f) = 0.519E-02 0.628E-02 0.445E-21 DMP: 121 0.471087677189E+04 0.59083E-01 -0.46646E-02 16320 0.728E-02 0.115E-01 gam= 0.382 g(H,U,f)= 0.341E-02 0.410E-02 0.237E-21 ort(H,U,f) = 0.536E-02 0.647E-02 0.373E-21 DMP: 122 0.471093831909E+04 0.61547E-01 -0.48131E-02 16320 0.751E-02 0.118E-01 gam= 0.382 g(H,U,f)= 0.352E-02 0.422E-02 0.193E-21 ort(H,U,f) = 0.554E-02 0.666E-02 0.304E-21 DMP: 123 0.471100238691E+04 0.64068E-01 -0.49597E-02 16320 0.774E-02 0.122E-01 gam= 0.382 g(H,U,f)= 0.363E-02 0.433E-02 0.152E-21 ort(H,U,f) = 0.572E-02 0.684E-02 0.240E-21 DMP: 124 0.471106902120E+04 0.66634E-01 -0.51039E-02 16320 0.796E-02 0.126E-01 gam= 0.382 g(H,U,f)= 0.374E-02 0.444E-02 0.117E-21 ort(H,U,f) = 0.589E-02 0.702E-02 0.185E-21 DMP: 125 0.471113825387E+04 0.69233E-01 -0.52451E-02 16320 0.818E-02 0.129E-01 gam= 0.382 g(H,U,f)= 0.384E-02 0.455E-02 0.874E-22 ort(H,U,f) = 0.607E-02 0.720E-02 0.138E-21 DMP: 126 0.471121010063E+04 0.71847E-01 -0.53828E-02 16320 0.839E-02 0.133E-01 gam= 0.382 g(H,U,f)= 0.394E-02 0.465E-02 0.632E-22 ort(H,U,f) = 0.623E-02 0.737E-02 0.100E-21 DMP: 127 0.471128460216E+04 0.74502E-01 -0.55151E-02 16320 0.859E-02 0.136E-01