iterations/neb0_image02_iter20_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 0.365173164991E+03 0.36517E+03 -0.14273E+04 624 0.799E+02
DAV: 2 0.329337859194E+01 -0.36188E+03 -0.34857E+03 847 0.195E+02
DAV: 3 -0.952781762673E+02 -0.98572E+02 -0.98231E+02 688 0.116E+02
DAV: 4 -0.997448292081E+02 -0.44667E+01 -0.44547E+01 712 0.278E+01
DAV: 5 -0.998337199929E+02 -0.88891E-01 -0.88841E-01 736 0.348E+00 0.221E+01
DAV: 6 -0.912795061952E+02 0.85542E+01 -0.30778E+01 712 0.298E+01 0.116E+01
DAV: 7 -0.904671402570E+02 0.81237E+00 -0.17911E+00 704 0.646E+00 0.483E+00
DAV: 8 -0.900823617217E+02 0.38478E+00 -0.60202E-01 728 0.451E+00 0.166E+00
DAV: 9 -0.899968133722E+02 0.85548E-01 -0.13738E-01 728 0.166E+00 0.445E-01
DAV: 10 -0.899896782087E+02 0.71352E-02 -0.35745E-02 736 0.115E+00 0.300E-01
DAV: 11 -0.899933653884E+02 -0.36872E-02 -0.64436E-03 608 0.430E-01 0.161E-01
DAV: 12 -0.899964208447E+02 -0.30555E-02 -0.51768E-03 632 0.449E-01 0.110E-01
DAV: 13 -0.899996162789E+02 -0.31954E-02 -0.87858E-04 634 0.249E-01 0.801E-02
DAV: 14 -0.900026007079E+02 -0.29844E-02 -0.17764E-03 664 0.209E-01 0.543E-02
DAV: 15 -0.900047389961E+02 -0.21383E-02 -0.48716E-04 920 0.171E-01 0.250E-02
DAV: 16 -0.900061709238E+02 -0.14319E-02 -0.21736E-04 677 0.682E-02 0.231E-02
DAV: 17 -0.900070664968E+02 -0.89557E-03 -0.11008E-04 672 0.504E-02 0.133E-02
DAV: 18 -0.900073859685E+02 -0.31947E-03 -0.12239E-04 669 0.635E-02 0.152E-02
DAV: 19 -0.900074703533E+02 -0.84385E-04 -0.12046E-05 464 0.232E-02 0.131E-02
DAV: 20 -0.900075186244E+02 -0.48271E-04 -0.30206E-05 637 0.320E-02 0.311E-03
DAV: 21 -0.900075350012E+02 -0.16377E-04 -0.32508E-06 480 0.112E-02 0.266E-03
DAV: 22 -0.900075484209E+02 -0.13420E-04 -0.17225E-06 434 0.653E-03 0.279E-03
DAV: 23 -0.900075550218E+02 -0.66009E-05 -0.88198E-07 480 0.798E-03
1 F= -.90007555E+02 E0= -.90014405E+02 d E =0.205506E-01