iterations/neb0_image03_iter147_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 0.365671487204E+03 0.36567E+03 -0.14325E+04 632 0.799E+02
DAV: 2 0.129293483614E+01 -0.36438E+03 -0.35287E+03 861 0.195E+02
DAV: 3 -0.960623702201E+02 -0.97355E+02 -0.97046E+02 680 0.116E+02
DAV: 4 -0.100240499307E+03 -0.41781E+01 -0.41684E+01 696 0.274E+01
DAV: 5 -0.100320713324E+03 -0.80214E-01 -0.80184E-01 728 0.344E+00 0.222E+01
DAV: 6 -0.916966187554E+02 0.86241E+01 -0.30812E+01 680 0.298E+01 0.117E+01
DAV: 7 -0.908472495484E+02 0.84937E+00 -0.18035E+00 704 0.633E+00 0.483E+00
DAV: 8 -0.904462672751E+02 0.40098E+00 -0.56113E-01 704 0.429E+00 0.167E+00
DAV: 9 -0.903501406769E+02 0.96127E-01 -0.13207E-01 704 0.178E+00 0.438E-01
DAV: 10 -0.903420291871E+02 0.81115E-02 -0.49011E-02 720 0.117E+00 0.342E-01
DAV: 11 -0.903463355394E+02 -0.43064E-02 -0.98617E-03 608 0.703E-01 0.127E-01
DAV: 12 -0.903482830929E+02 -0.19476E-02 -0.50455E-03 629 0.334E-01 0.121E-01
DAV: 13 -0.903527425316E+02 -0.44594E-02 -0.22307E-03 736 0.325E-01 0.829E-02
DAV: 14 -0.903561396983E+02 -0.33972E-02 -0.90343E-04 663 0.147E-01 0.564E-02
DAV: 15 -0.903583214030E+02 -0.21817E-02 -0.38773E-04 666 0.123E-01 0.229E-02
DAV: 16 -0.903603308002E+02 -0.20094E-02 -0.33801E-04 658 0.954E-02 0.248E-02
DAV: 17 -0.903609352386E+02 -0.60444E-03 -0.71435E-05 752 0.661E-02 0.147E-02
DAV: 18 -0.903613053169E+02 -0.37008E-03 -0.83794E-05 641 0.456E-02 0.115E-02
DAV: 19 -0.903614203440E+02 -0.11503E-03 -0.12547E-05 512 0.351E-02 0.474E-03
DAV: 20 -0.903615451422E+02 -0.12480E-03 -0.36676E-05 531 0.296E-02 0.821E-03
DAV: 21 -0.903615644269E+02 -0.19285E-04 -0.48192E-06 504 0.238E-02 0.244E-03
DAV: 22 -0.903615880305E+02 -0.23604E-04 -0.11583E-05 409 0.192E-02 0.447E-03
DAV: 23 -0.903615973630E+02 -0.93326E-05 -0.17518E-06 480 0.870E-03
1 F= -.90361597E+02 E0= -.90370322E+02 d E =0.261731E-01