iterations/neb0_image08_iter151_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 0.374672370535E+03 0.37467E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.376391716495E+01 -0.37091E+03 -0.35878E+03 863 0.196E+02
DAV: 3 -0.967003949953E+02 -0.10046E+03 -0.10015E+03 669 0.117E+02
DAV: 4 -0.101260510264E+03 -0.45601E+01 -0.45474E+01 728 0.284E+01
DAV: 5 -0.101350041751E+03 -0.89531E-01 -0.89482E-01 712 0.361E+00 0.228E+01
DAV: 6 -0.926465891344E+02 0.87035E+01 -0.30969E+01 728 0.301E+01 0.119E+01
DAV: 7 -0.917767194245E+02 0.86987E+00 -0.17608E+00 712 0.617E+00 0.480E+00
DAV: 8 -0.913997317722E+02 0.37699E+00 -0.54552E-01 720 0.396E+00 0.162E+00
DAV: 9 -0.913179930737E+02 0.81739E-01 -0.13196E-01 720 0.155E+00 0.422E-01
DAV: 10 -0.913096998536E+02 0.82932E-02 -0.44301E-02 776 0.110E+00 0.298E-01
DAV: 11 -0.913143401699E+02 -0.46403E-02 -0.12429E-02 608 0.584E-01 0.139E-01
DAV: 12 -0.913173016171E+02 -0.29614E-02 -0.27675E-03 625 0.246E-01 0.105E-01
DAV: 13 -0.913207017940E+02 -0.34002E-02 -0.13318E-03 645 0.192E-01 0.443E-02
DAV: 14 -0.913241138162E+02 -0.34120E-02 -0.73874E-04 661 0.167E-01 0.346E-02
DAV: 15 -0.913253530381E+02 -0.12392E-02 -0.16963E-04 688 0.849E-02 0.347E-02
DAV: 16 -0.913267778434E+02 -0.14248E-02 -0.37401E-04 652 0.103E-01 0.198E-02
DAV: 17 -0.913271813407E+02 -0.40350E-03 -0.59815E-05 680 0.565E-02 0.137E-02
DAV: 18 -0.913274148591E+02 -0.23352E-03 -0.51168E-05 637 0.362E-02 0.119E-02
DAV: 19 -0.913275242959E+02 -0.10944E-03 -0.15373E-05 472 0.213E-02 0.565E-03
DAV: 20 -0.913275543569E+02 -0.30061E-04 -0.64187E-06 464 0.146E-02 0.250E-03
DAV: 21 -0.913275761960E+02 -0.21839E-04 -0.46099E-06 423 0.117E-02 0.172E-03
DAV: 22 -0.913275852360E+02 -0.90400E-05 -0.16548E-06 453 0.531E-03
1 F= -.91327585E+02 E0= -.91332666E+02 d E =0.152431E-01