iterations/neb0_image04_iter140_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 0.368835504131E+03 0.36884E+03 -0.14314E+04 632 0.799E+02
DAV: 2 0.426584274435E+01 -0.36457E+03 -0.35142E+03 850 0.195E+02
DAV: 3 -0.955003833701E+02 -0.99766E+02 -0.99442E+02 674 0.116E+02
DAV: 4 -0.100020396330E+03 -0.45200E+01 -0.45081E+01 704 0.281E+01
DAV: 5 -0.100109592628E+03 -0.89196E-01 -0.89151E-01 736 0.355E+00 0.222E+01
DAV: 6 -0.915073769955E+02 0.86022E+01 -0.30431E+01 696 0.296E+01 0.116E+01
DAV: 7 -0.906486912896E+02 0.85869E+00 -0.17866E+00 696 0.631E+00 0.482E+00
DAV: 8 -0.902455113051E+02 0.40318E+00 -0.56905E-01 704 0.431E+00 0.163E+00
DAV: 9 -0.901516653428E+02 0.93846E-01 -0.13217E-01 712 0.179E+00 0.442E-01
DAV: 10 -0.901428693651E+02 0.87960E-02 -0.45813E-02 712 0.114E+00 0.338E-01
DAV: 11 -0.901473950557E+02 -0.45257E-02 -0.11525E-02 608 0.746E-01 0.139E-01
DAV: 12 -0.901492111364E+02 -0.18161E-02 -0.49298E-03 639 0.348E-01 0.123E-01
DAV: 13 -0.901538672724E+02 -0.46561E-02 -0.34878E-03 767 0.415E-01 0.990E-02
DAV: 14 -0.901565256275E+02 -0.26584E-02 -0.89032E-04 680 0.157E-01 0.707E-02
DAV: 15 -0.901587235063E+02 -0.21979E-02 -0.82839E-04 666 0.181E-01 0.264E-02
DAV: 16 -0.901607596976E+02 -0.20362E-02 -0.37934E-04 682 0.112E-01 0.284E-02
DAV: 17 -0.901612426440E+02 -0.48295E-03 -0.60993E-05 704 0.494E-02 0.206E-02
DAV: 18 -0.901618047261E+02 -0.56208E-03 -0.13793E-04 697 0.696E-02 0.134E-02
DAV: 19 -0.901621245547E+02 -0.31983E-03 -0.38573E-05 599 0.344E-02 0.738E-03
DAV: 20 -0.901622401487E+02 -0.11559E-03 -0.20158E-05 485 0.258E-02 0.280E-03
DAV: 21 -0.901623248690E+02 -0.84720E-04 -0.13803E-05 452 0.148E-02 0.431E-03
DAV: 22 -0.901623423091E+02 -0.17440E-04 -0.23530E-06 504 0.101E-02 0.200E-03
DAV: 23 -0.901623487920E+02 -0.64829E-05 -0.45641E-06 412 0.130E-02
1 F= -.90162349E+02 E0= -.90171478E+02 d E =0.273890E-01