./iterations/neb0_image01_iter282_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 0.362580624813E+03 0.36258E+03 -0.14327E+04 632 0.799E+02
DAV: 2 0.297841583290E+01 -0.35960E+03 -0.34732E+03 828 0.195E+02
DAV: 3 -0.955902932994E+02 -0.98569E+02 -0.98230E+02 658 0.115E+02
DAV: 4 -0.100203865223E+03 -0.46136E+01 -0.46009E+01 696 0.287E+01
DAV: 5 -0.100292880410E+03 -0.89015E-01 -0.88969E-01 728 0.361E+00 0.222E+01
DAV: 6 -0.916932579587E+02 0.85996E+01 -0.30933E+01 685 0.299E+01 0.117E+01
DAV: 7 -0.908922160844E+02 0.80104E+00 -0.18484E+00 720 0.639E+00 0.483E+00
DAV: 8 -0.905148003887E+02 0.37742E+00 -0.55093E-01 704 0.429E+00 0.169E+00
DAV: 9 -0.904289815413E+02 0.85819E-01 -0.13643E-01 712 0.165E+00 0.427E-01
DAV: 10 -0.904237627150E+02 0.52188E-02 -0.45166E-02 693 0.125E+00 0.316E-01
DAV: 11 -0.904274900149E+02 -0.37273E-02 -0.64757E-03 608 0.482E-01 0.144E-01
DAV: 12 -0.904310095306E+02 -0.35195E-02 -0.72372E-03 623 0.495E-01 0.130E-01
DAV: 13 -0.904337175031E+02 -0.27080E-02 -0.15900E-03 888 0.319E-01 0.761E-02
DAV: 14 -0.904367618924E+02 -0.30444E-02 -0.13042E-03 642 0.170E-01 0.583E-02
DAV: 15 -0.904388257891E+02 -0.20639E-02 -0.38647E-04 680 0.114E-01 0.447E-02
DAV: 16 -0.904403106928E+02 -0.14849E-02 -0.79640E-04 663 0.165E-01 0.358E-02
DAV: 17 -0.904410313914E+02 -0.72070E-03 -0.13961E-04 736 0.849E-02 0.235E-02
DAV: 18 -0.904412492381E+02 -0.21785E-03 -0.76625E-05 669 0.437E-02 0.918E-03
DAV: 19 -0.904414439378E+02 -0.19470E-03 -0.34998E-05 535 0.285E-02 0.508E-03
DAV: 20 -0.904414757060E+02 -0.31768E-04 -0.44142E-06 488 0.138E-02 0.644E-03
DAV: 21 -0.904415217372E+02 -0.46031E-04 -0.91176E-06 398 0.178E-02 0.458E-03
DAV: 22 -0.904415295459E+02 -0.78086E-05 -0.43557E-06 480 0.139E-02
1 F= -.90441530E+02 E0= -.90447409E+02 d E =0.176397E-01