iterations/neb0_image05_iter73_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 0.373242949487E+03 0.37324E+03 -0.14309E+04 632 0.799E+02
DAV: 2 0.392979367302E+01 -0.36931E+03 -0.35739E+03 877 0.195E+02
DAV: 3 -0.939019989726E+02 -0.97832E+02 -0.97476E+02 640 0.116E+02
DAV: 4 -0.985719067622E+02 -0.46699E+01 -0.46580E+01 696 0.297E+01
DAV: 5 -0.986737228004E+02 -0.10182E+00 -0.10177E+00 736 0.390E+00 0.218E+01
DAV: 6 -0.904258618869E+02 0.82479E+01 -0.28748E+01 693 0.288E+01 0.112E+01
DAV: 7 -0.895866681496E+02 0.83919E+00 -0.17759E+00 712 0.658E+00 0.467E+00
DAV: 8 -0.892071390306E+02 0.37953E+00 -0.59322E-01 704 0.432E+00 0.155E+00
DAV: 9 -0.891246731170E+02 0.82466E-01 -0.12377E-01 720 0.159E+00 0.431E-01
DAV: 10 -0.891139603570E+02 0.10713E-01 -0.48692E-02 717 0.117E+00 0.332E-01
DAV: 11 -0.891162929500E+02 -0.23326E-02 -0.10287E-02 629 0.582E-01 0.116E-01
DAV: 12 -0.891185194903E+02 -0.22265E-02 -0.32761E-03 652 0.289E-01 0.118E-01
DAV: 13 -0.891239199216E+02 -0.54004E-02 -0.20091E-03 807 0.309E-01 0.668E-02
DAV: 14 -0.891261810889E+02 -0.22612E-02 -0.66759E-04 677 0.125E-01 0.470E-02
DAV: 15 -0.891291701079E+02 -0.29890E-02 -0.80683E-04 690 0.164E-01 0.334E-02
DAV: 16 -0.891300939057E+02 -0.92380E-03 -0.10069E-04 768 0.650E-02 0.211E-02
DAV: 17 -0.891311705665E+02 -0.10767E-02 -0.18459E-04 647 0.677E-02 0.970E-03
DAV: 18 -0.891315365359E+02 -0.36597E-03 -0.31729E-05 605 0.317E-02 0.601E-03
DAV: 19 -0.891316803894E+02 -0.14385E-03 -0.15436E-05 472 0.192E-02 0.348E-03
DAV: 20 -0.891317555702E+02 -0.75181E-04 -0.11096E-05 440 0.164E-02 0.268E-03
DAV: 21 -0.891317705506E+02 -0.14980E-04 -0.25286E-06 485 0.721E-03 0.255E-03
DAV: 22 -0.891317758479E+02 -0.52973E-05 -0.19586E-06 440 0.101E-02
1 F= -.89131776E+02 E0= -.89135676E+02 d E =0.117011E-01