iterations/neb0_image09_iter16_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 0.372457968651E+03 0.37246E+03 -0.14271E+04 624 0.799E+02
DAV: 2 0.231093120847E+01 -0.37015E+03 -0.35772E+03 874 0.195E+02
DAV: 3 -0.965499794772E+02 -0.98861E+02 -0.98533E+02 664 0.116E+02
DAV: 4 -0.101060277232E+03 -0.45103E+01 -0.44998E+01 696 0.285E+01
DAV: 5 -0.101150456014E+03 -0.90179E-01 -0.90130E-01 736 0.363E+00 0.225E+01
DAV: 6 -0.925557882170E+02 0.85947E+01 -0.30864E+01 712 0.302E+01 0.118E+01
DAV: 7 -0.917079799859E+02 0.84781E+00 -0.17025E+00 720 0.620E+00 0.477E+00
DAV: 8 -0.913368363655E+02 0.37114E+00 -0.55381E-01 712 0.400E+00 0.164E+00
DAV: 9 -0.912545687659E+02 0.82268E-01 -0.12925E-01 712 0.156E+00 0.426E-01
DAV: 10 -0.912456655794E+02 0.89032E-02 -0.37779E-02 744 0.996E-01 0.285E-01
DAV: 11 -0.912502368828E+02 -0.45713E-02 -0.11750E-02 613 0.569E-01 0.157E-01
DAV: 12 -0.912526222846E+02 -0.23854E-02 -0.20853E-03 640 0.243E-01 0.917E-02
DAV: 13 -0.912568280585E+02 -0.42058E-02 -0.23118E-03 641 0.240E-01 0.586E-02
DAV: 14 -0.912588283907E+02 -0.20003E-02 -0.55408E-04 800 0.187E-01 0.341E-02
DAV: 15 -0.912614703241E+02 -0.26419E-02 -0.52752E-04 626 0.110E-01 0.341E-02
DAV: 16 -0.912622471848E+02 -0.77686E-03 -0.10261E-04 752 0.777E-02 0.152E-02
DAV: 17 -0.912632314469E+02 -0.98426E-03 -0.19092E-04 628 0.727E-02 0.164E-02
DAV: 18 -0.912635072583E+02 -0.27581E-03 -0.23776E-05 549 0.297E-02 0.116E-02
DAV: 19 -0.912636262458E+02 -0.11899E-03 -0.36419E-05 637 0.336E-02 0.345E-03
DAV: 20 -0.912636619144E+02 -0.35669E-04 -0.36057E-06 474 0.124E-02 0.212E-03
DAV: 21 -0.912636768924E+02 -0.14978E-04 -0.16549E-06 429 0.544E-03 0.183E-03
DAV: 22 -0.912636830874E+02 -0.61950E-05 -0.94750E-07 438 0.443E-03
1 F= -.91263683E+02 E0= -.91268375E+02 d E =0.140771E-01