./iterations/neb0_image07_iter33_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 0.376235900898E+03 0.37624E+03 -0.14328E+04 632 0.799E+02
DAV: 2 0.381151101780E+01 -0.37242E+03 -0.35930E+03 861 0.196E+02
DAV: 3 -0.963608368180E+02 -0.10017E+03 -0.99839E+02 664 0.117E+02
DAV: 4 -0.100769488054E+03 -0.44087E+01 -0.43969E+01 728 0.284E+01
DAV: 5 -0.100854067245E+03 -0.84579E-01 -0.84556E-01 728 0.355E+00 0.230E+01
DAV: 6 -0.920674681262E+02 0.87866E+01 -0.30572E+01 663 0.303E+01 0.120E+01
DAV: 7 -0.911559365885E+02 0.91153E+00 -0.17216E+00 728 0.624E+00 0.482E+00
DAV: 8 -0.907719871049E+02 0.38395E+00 -0.56246E-01 696 0.409E+00 0.166E+00
DAV: 9 -0.906854689019E+02 0.86518E-01 -0.13341E-01 720 0.157E+00 0.437E-01
DAV: 10 -0.906752410263E+02 0.10228E-01 -0.42221E-02 752 0.106E+00 0.298E-01
DAV: 11 -0.906798853673E+02 -0.46443E-02 -0.11979E-02 610 0.594E-01 0.157E-01
DAV: 12 -0.906822218616E+02 -0.23365E-02 -0.20249E-03 642 0.217E-01 0.116E-01
DAV: 13 -0.906869108843E+02 -0.46890E-02 -0.29372E-03 644 0.296E-01 0.598E-02
DAV: 14 -0.906887525910E+02 -0.18417E-02 -0.35161E-04 696 0.134E-01 0.341E-02
DAV: 15 -0.906920257870E+02 -0.32732E-02 -0.60923E-04 644 0.125E-01 0.271E-02
DAV: 16 -0.906926653796E+02 -0.63959E-03 -0.50108E-05 704 0.568E-02 0.169E-02
DAV: 17 -0.906936059528E+02 -0.94057E-03 -0.19772E-04 646 0.854E-02 0.167E-02
DAV: 18 -0.906938748741E+02 -0.26892E-03 -0.33137E-05 656 0.414E-02 0.985E-03
DAV: 19 -0.906939850237E+02 -0.11015E-03 -0.19488E-05 464 0.244E-02 0.536E-03
DAV: 20 -0.906940521464E+02 -0.67123E-04 -0.11379E-05 457 0.172E-02 0.281E-03
DAV: 21 -0.906940791957E+02 -0.27049E-04 -0.33457E-06 431 0.812E-03 0.279E-03
DAV: 22 -0.906940915044E+02 -0.12309E-04 -0.21597E-06 438 0.794E-03 0.155E-03
DAV: 23 -0.906940928030E+02 -0.12986E-05 -0.82765E-07 544 0.498E-03
1 F= -.90694093E+02 E0= -.90699930E+02 d E =0.175130E-01