iterations/neb0_image09_iter47_OSZICAR.out output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.374303854603E+03 0.37430E+03 -0.14278E+04 624 0.799E+02
DAV: 2 0.252091510419E+01 -0.37178E+03 -0.35939E+03 877 0.196E+02
DAV: 3 -0.966379583641E+02 -0.99159E+02 -0.98824E+02 656 0.117E+02
DAV: 4 -0.101180890472E+03 -0.45429E+01 -0.45337E+01 696 0.289E+01
DAV: 5 -0.101271096231E+03 -0.90206E-01 -0.90167E-01 736 0.369E+00 0.226E+01
DAV: 6 -0.926490405627E+02 0.86221E+01 -0.30832E+01 709 0.300E+01 0.119E+01
DAV: 7 -0.917917877881E+02 0.85725E+00 -0.17065E+00 728 0.615E+00 0.479E+00
DAV: 8 -0.914165106841E+02 0.37528E+00 -0.54732E-01 712 0.398E+00 0.163E+00
DAV: 9 -0.913339424728E+02 0.82568E-01 -0.12900E-01 701 0.154E+00 0.422E-01
DAV: 10 -0.913249304066E+02 0.90121E-02 -0.44659E-02 744 0.109E+00 0.301E-01
DAV: 11 -0.913297970431E+02 -0.48666E-02 -0.13899E-02 605 0.604E-01 0.161E-01
DAV: 12 -0.913325792681E+02 -0.27822E-02 -0.28847E-03 639 0.243E-01 0.109E-01
DAV: 13 -0.913363625136E+02 -0.37832E-02 -0.17763E-03 677 0.223E-01 0.463E-02
DAV: 14 -0.913397893388E+02 -0.34268E-02 -0.68804E-04 661 0.164E-01 0.306E-02
DAV: 15 -0.913410567240E+02 -0.12674E-02 -0.15826E-04 696 0.762E-02 0.307E-02
DAV: 16 -0.913422264560E+02 -0.11697E-02 -0.25703E-04 666 0.934E-02 0.160E-02
DAV: 17 -0.913427457012E+02 -0.51925E-03 -0.51405E-05 677 0.434E-02 0.146E-02
DAV: 18 -0.913429546608E+02 -0.20896E-03 -0.59922E-05 648 0.458E-02 0.130E-02
DAV: 19 -0.913430857289E+02 -0.13107E-03 -0.19402E-05 466 0.269E-02 0.460E-03
DAV: 20 -0.913431250689E+02 -0.39340E-04 -0.84593E-06 464 0.136E-02 0.203E-03
DAV: 21 -0.913431535718E+02 -0.28503E-04 -0.34306E-06 419 0.767E-03 0.113E-03
DAV: 22 -0.913431605064E+02 -0.69346E-05 -0.13016E-06 472 0.420E-03
1 F= -.91343161E+02 E0= -.91348021E+02 d E =0.145803E-01