./iterations/neb0_image02_iter70_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 0.368126514042E+03 0.36813E+03 -0.14296E+04 624 0.799E+02
DAV: 2 0.465489964458E+01 -0.36347E+03 -0.34876E+03 834 0.195E+02
DAV: 3 -0.957030701000E+02 -0.10036E+03 -0.10002E+03 688 0.116E+02
DAV: 4 -0.100178979334E+03 -0.44759E+01 -0.44658E+01 696 0.279E+01
DAV: 5 -0.100265758009E+03 -0.86779E-01 -0.86736E-01 736 0.348E+00 0.222E+01
DAV: 6 -0.916527232720E+02 0.86130E+01 -0.30994E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908293363781E+02 0.82339E+00 -0.18265E+00 704 0.634E+00 0.483E+00
DAV: 8 -0.904415480944E+02 0.38779E+00 -0.55847E-01 696 0.427E+00 0.169E+00
DAV: 9 -0.903509077691E+02 0.90640E-01 -0.14021E-01 712 0.166E+00 0.433E-01
DAV: 10 -0.903443855091E+02 0.65223E-02 -0.46554E-02 712 0.127E+00 0.320E-01
DAV: 11 -0.903480616557E+02 -0.36761E-02 -0.71460E-03 608 0.480E-01 0.148E-01
DAV: 12 -0.903514639983E+02 -0.34023E-02 -0.70404E-03 624 0.467E-01 0.129E-01
DAV: 13 -0.903542587867E+02 -0.27948E-02 -0.14015E-03 968 0.321E-01 0.794E-02
DAV: 14 -0.903573336867E+02 -0.30749E-02 -0.13304E-03 637 0.172E-01 0.548E-02
DAV: 15 -0.903597597629E+02 -0.24261E-02 -0.41851E-04 669 0.115E-01 0.412E-02
DAV: 16 -0.903611415366E+02 -0.13818E-02 -0.56787E-04 656 0.131E-01 0.309E-02
DAV: 17 -0.903620018104E+02 -0.86027E-03 -0.16669E-04 834 0.863E-02 0.168E-02
DAV: 18 -0.903621648172E+02 -0.16301E-03 -0.34052E-05 656 0.314E-02 0.907E-03
DAV: 19 -0.903623691895E+02 -0.20437E-03 -0.33057E-05 545 0.274E-02 0.398E-03
DAV: 20 -0.903624006779E+02 -0.31488E-04 -0.26567E-06 480 0.891E-03 0.416E-03
DAV: 21 -0.903624562678E+02 -0.55590E-04 -0.82972E-06 403 0.154E-02 0.225E-03
DAV: 22 -0.903624633737E+02 -0.71058E-05 -0.30785E-06 485 0.847E-03
1 F= -.90362463E+02 E0= -.90368353E+02 d E =0.176701E-01