iterations/neb0_image05_iter251_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 0.366981288813E+03 0.36698E+03 -0.14297E+04 624 0.799E+02
DAV: 2 0.388749477980E+01 -0.36309E+03 -0.34890E+03 845 0.195E+02
DAV: 3 -0.956209522694E+02 -0.99508E+02 -0.99165E+02 680 0.116E+02
DAV: 4 -0.100115387716E+03 -0.44944E+01 -0.44837E+01 696 0.284E+01
DAV: 5 -0.100201122665E+03 -0.85735E-01 -0.85693E-01 736 0.355E+00 0.221E+01
DAV: 6 -0.916031655589E+02 0.85980E+01 -0.31160E+01 704 0.300E+01 0.116E+01
DAV: 7 -0.907891810544E+02 0.81398E+00 -0.17503E+00 728 0.623E+00 0.482E+00
DAV: 8 -0.904130355532E+02 0.37615E+00 -0.53815E-01 728 0.424E+00 0.167E+00
DAV: 9 -0.903254603916E+02 0.87575E-01 -0.12806E-01 720 0.168E+00 0.434E-01
DAV: 10 -0.903166376302E+02 0.88228E-02 -0.39938E-02 720 0.114E+00 0.307E-01
DAV: 11 -0.903196404861E+02 -0.30029E-02 -0.57450E-03 608 0.498E-01 0.137E-01
DAV: 12 -0.903222561313E+02 -0.26156E-02 -0.48280E-03 616 0.400E-01 0.115E-01
DAV: 13 -0.903256390285E+02 -0.33829E-02 -0.95074E-04 724 0.252E-01 0.914E-02
DAV: 14 -0.903292237653E+02 -0.35847E-02 -0.20916E-03 617 0.249E-01 0.775E-02
DAV: 15 -0.903306233244E+02 -0.13996E-02 -0.31915E-04 768 0.123E-01 0.573E-02
DAV: 16 -0.903328698031E+02 -0.22465E-02 -0.11920E-03 658 0.212E-01 0.411E-02
DAV: 17 -0.903339733050E+02 -0.11035E-02 -0.19627E-04 688 0.874E-02 0.396E-02
DAV: 18 -0.903342045913E+02 -0.23129E-03 -0.59947E-05 712 0.473E-02 0.235E-02
DAV: 19 -0.903346855173E+02 -0.48093E-03 -0.16645E-04 678 0.787E-02 0.112E-02
DAV: 20 -0.903347291601E+02 -0.43643E-04 -0.18381E-05 592 0.276E-02 0.107E-02
DAV: 21 -0.903348089371E+02 -0.79777E-04 -0.16762E-05 470 0.248E-02 0.784E-03
DAV: 22 -0.903348348218E+02 -0.25885E-04 -0.58417E-06 488 0.161E-02 0.606E-03
DAV: 23 -0.903348441019E+02 -0.92801E-05 -0.25866E-06 466 0.112E-02
1 F= -.90334844E+02 E0= -.90343353E+02 d E =0.255278E-01