./iterations/neb0_image03_iter44_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 0.368504070529E+03 0.36850E+03 -0.14321E+04 632 0.799E+02
DAV: 2 0.411504221376E+01 -0.36439E+03 -0.35114E+03 845 0.195E+02
DAV: 3 -0.952724448533E+02 -0.99387E+02 -0.99052E+02 656 0.116E+02
DAV: 4 -0.999876895049E+02 -0.47152E+01 -0.47051E+01 712 0.294E+01
DAV: 5 -0.100079010269E+03 -0.91321E-01 -0.91282E-01 736 0.370E+00 0.223E+01
DAV: 6 -0.914952188160E+02 0.85838E+01 -0.30388E+01 688 0.295E+01 0.117E+01
DAV: 7 -0.906322793971E+02 0.86294E+00 -0.18078E+00 696 0.638E+00 0.482E+00
DAV: 8 -0.902294840182E+02 0.40280E+00 -0.57135E-01 696 0.429E+00 0.165E+00
DAV: 9 -0.901366996134E+02 0.92784E-01 -0.13819E-01 704 0.167E+00 0.438E-01
DAV: 10 -0.901288995963E+02 0.78000E-02 -0.46169E-02 712 0.119E+00 0.335E-01
DAV: 11 -0.901323059644E+02 -0.34064E-02 -0.72608E-03 608 0.544E-01 0.118E-01
DAV: 12 -0.901349835310E+02 -0.26776E-02 -0.49370E-03 634 0.313E-01 0.120E-01
DAV: 13 -0.901391332282E+02 -0.41497E-02 -0.16097E-03 821 0.333E-01 0.811E-02
DAV: 14 -0.901420910250E+02 -0.29578E-02 -0.87419E-04 669 0.138E-01 0.523E-02
DAV: 15 -0.901449049084E+02 -0.28139E-02 -0.56691E-04 656 0.130E-01 0.308E-02
DAV: 16 -0.901464143958E+02 -0.15095E-02 -0.27479E-04 696 0.854E-02 0.235E-02
DAV: 17 -0.901469972466E+02 -0.58285E-03 -0.61372E-05 664 0.486E-02 0.136E-02
DAV: 18 -0.901474489055E+02 -0.45166E-03 -0.93806E-05 663 0.489E-02 0.104E-02
DAV: 19 -0.901474765444E+02 -0.27639E-04 -0.66716E-06 520 0.223E-02 0.628E-03
DAV: 20 -0.901475688864E+02 -0.92342E-04 -0.29137E-05 564 0.307E-02 0.711E-03
DAV: 21 -0.901475941693E+02 -0.25283E-04 -0.42967E-06 488 0.185E-02 0.310E-03
DAV: 22 -0.901476138071E+02 -0.19638E-04 -0.10065E-05 433 0.186E-02 0.386E-03
DAV: 23 -0.901476240535E+02 -0.10246E-04 -0.18780E-06 461 0.826E-03 0.235E-03
DAV: 24 -0.901476273833E+02 -0.33298E-05 -0.22880E-06 430 0.976E-03
1 F= -.90147627E+02 E0= -.90157751E+02 d E =0.303710E-01