iterations/neb0_image09_iter112_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 0.374760531325E+03 0.37476E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.251131978382E+01 -0.37225E+03 -0.35991E+03 877 0.196E+02
DAV: 3 -0.967021259972E+02 -0.99213E+02 -0.98878E+02 656 0.117E+02
DAV: 4 -0.101239764008E+03 -0.45376E+01 -0.45282E+01 704 0.289E+01
DAV: 5 -0.101329128476E+03 -0.89364E-01 -0.89326E-01 736 0.367E+00 0.227E+01
DAV: 6 -0.926696676470E+02 0.86595E+01 -0.30872E+01 701 0.301E+01 0.119E+01
DAV: 7 -0.918027817001E+02 0.86689E+00 -0.17128E+00 728 0.615E+00 0.480E+00
DAV: 8 -0.914263674546E+02 0.37641E+00 -0.54274E-01 712 0.395E+00 0.163E+00
DAV: 9 -0.913437125578E+02 0.82655E-01 -0.13130E-01 712 0.155E+00 0.423E-01
DAV: 10 -0.913348771977E+02 0.88354E-02 -0.45794E-02 792 0.112E+00 0.304E-01
DAV: 11 -0.913393582482E+02 -0.44811E-02 -0.13072E-02 616 0.597E-01 0.144E-01
DAV: 12 -0.913422550499E+02 -0.28968E-02 -0.29551E-03 623 0.246E-01 0.110E-01
DAV: 13 -0.913460952807E+02 -0.38402E-02 -0.14788E-03 688 0.207E-01 0.449E-02
DAV: 14 -0.913496531052E+02 -0.35578E-02 -0.68056E-04 661 0.147E-01 0.346E-02
DAV: 15 -0.913508580906E+02 -0.12050E-02 -0.11882E-04 688 0.726E-02 0.346E-02
DAV: 16 -0.913522549246E+02 -0.13968E-02 -0.39918E-04 641 0.106E-01 0.221E-02
DAV: 17 -0.913525511041E+02 -0.29618E-03 -0.65743E-05 736 0.625E-02 0.133E-02
DAV: 18 -0.913527583386E+02 -0.20723E-03 -0.37182E-05 573 0.294E-02 0.115E-02
DAV: 19 -0.913528934846E+02 -0.13515E-03 -0.16736E-05 477 0.198E-02 0.508E-03
DAV: 20 -0.913529286844E+02 -0.35200E-04 -0.75301E-06 472 0.158E-02 0.196E-03
DAV: 21 -0.913529531847E+02 -0.24500E-04 -0.46029E-06 406 0.975E-03 0.202E-03
DAV: 22 -0.913529561453E+02 -0.29606E-05 -0.77046E-07 496 0.409E-03
1 F= -.91352956E+02 E0= -.91357791E+02 d E =0.145042E-01