iterations/neb0_image09_iter32_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 0.374906058824E+03 0.37491E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.213525079185E+01 -0.37277E+03 -0.36024E+03 885 0.196E+02
DAV: 3 -0.967005445908E+02 -0.98836E+02 -0.98509E+02 656 0.116E+02
DAV: 4 -0.101204935046E+03 -0.45044E+01 -0.44950E+01 688 0.288E+01
DAV: 5 -0.101293643006E+03 -0.88708E-01 -0.88667E-01 736 0.367E+00 0.227E+01
DAV: 6 -0.926357251573E+02 0.86579E+01 -0.30857E+01 712 0.301E+01 0.119E+01
DAV: 7 -0.917692525907E+02 0.86647E+00 -0.17021E+00 728 0.614E+00 0.479E+00
DAV: 8 -0.913955919948E+02 0.37366E+00 -0.54107E-01 712 0.394E+00 0.164E+00
DAV: 9 -0.913125942012E+02 0.82998E-01 -0.13053E-01 704 0.154E+00 0.423E-01
DAV: 10 -0.913037664059E+02 0.88278E-02 -0.42909E-02 776 0.107E+00 0.296E-01
DAV: 11 -0.913084599154E+02 -0.46935E-02 -0.12663E-02 608 0.585E-01 0.150E-01
DAV: 12 -0.913112683904E+02 -0.28085E-02 -0.25765E-03 639 0.242E-01 0.101E-01
DAV: 13 -0.913151244726E+02 -0.38561E-02 -0.16065E-03 664 0.202E-01 0.477E-02
DAV: 14 -0.913187355437E+02 -0.36111E-02 -0.80664E-04 653 0.190E-01 0.345E-02
DAV: 15 -0.913198169661E+02 -0.10814E-02 -0.18202E-04 696 0.861E-02 0.308E-02
DAV: 16 -0.913207615298E+02 -0.94456E-03 -0.20674E-04 663 0.892E-02 0.167E-02
DAV: 17 -0.913215169516E+02 -0.75542E-03 -0.88281E-05 658 0.508E-02 0.124E-02
DAV: 18 -0.913217811034E+02 -0.26415E-03 -0.34764E-05 592 0.284E-02 0.996E-03
DAV: 19 -0.913219101950E+02 -0.12909E-03 -0.18829E-05 466 0.219E-02 0.363E-03
DAV: 20 -0.913219415047E+02 -0.31310E-04 -0.52631E-06 480 0.122E-02 0.236E-03
DAV: 21 -0.913219616344E+02 -0.20130E-04 -0.43126E-06 417 0.118E-02 0.215E-03
DAV: 22 -0.913219667195E+02 -0.50851E-05 -0.10685E-06 472 0.551E-03
1 F= -.91321967E+02 E0= -.91327065E+02 d E =0.152954E-01