./iterations/neb0_image04_iter288_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 0.365149413545E+03 0.36515E+03 -0.14303E+04 624 0.799E+02
DAV: 2 0.130071718307E+00 -0.36502E+03 -0.35431E+03 869 0.195E+02
DAV: 3 -0.960219402448E+02 -0.96152E+02 -0.95857E+02 656 0.115E+02
DAV: 4 -0.100328169231E+03 -0.43062E+01 -0.42986E+01 720 0.280E+01
DAV: 5 -0.100412950774E+03 -0.84782E-01 -0.84756E-01 728 0.349E+00 0.223E+01
DAV: 6 -0.916644398834E+02 0.87485E+01 -0.31663E+01 680 0.301E+01 0.117E+01
DAV: 7 -0.908326306837E+02 0.83181E+00 -0.18281E+00 720 0.642E+00 0.484E+00
DAV: 8 -0.904300322387E+02 0.40260E+00 -0.53948E-01 704 0.441E+00 0.180E+00
DAV: 9 -0.903386241420E+02 0.91408E-01 -0.13980E-01 704 0.228E+00 0.564E-01
DAV: 10 -0.903239760205E+02 0.14648E-01 -0.40778E-02 720 0.104E+00 0.393E-01
DAV: 11 -0.903271454148E+02 -0.31694E-02 -0.17456E-02 760 0.101E+00 0.427E-01
DAV: 12 -0.903260090034E+02 0.11364E-02 -0.64334E-03 744 0.764E-01 0.138E-01
DAV: 13 -0.903301186730E+02 -0.41097E-02 -0.44667E-03 623 0.381E-01 0.109E-01
DAV: 14 -0.903331268026E+02 -0.30081E-02 -0.99239E-04 631 0.214E-01 0.818E-02
DAV: 15 -0.903369523643E+02 -0.38256E-02 -0.11448E-03 698 0.272E-01 0.509E-02
DAV: 16 -0.903381649814E+02 -0.12126E-02 -0.26153E-04 696 0.118E-01 0.309E-02
DAV: 17 -0.903397182097E+02 -0.15532E-02 -0.53861E-04 705 0.149E-01 0.326E-02
DAV: 18 -0.903403871016E+02 -0.66889E-03 -0.92087E-05 672 0.696E-02 0.218E-02
DAV: 19 -0.903407298009E+02 -0.34270E-03 -0.15043E-04 716 0.701E-02 0.108E-02
DAV: 20 -0.903409212136E+02 -0.19141E-03 -0.28856E-05 530 0.398E-02 0.445E-03
DAV: 21 -0.903409879099E+02 -0.66696E-04 -0.17807E-05 538 0.206E-02 0.611E-03
DAV: 22 -0.903410223234E+02 -0.34414E-04 -0.56791E-06 456 0.177E-02 0.320E-03
DAV: 23 -0.903410457569E+02 -0.23433E-04 -0.75765E-06 436 0.154E-02 0.339E-03
DAV: 24 -0.903410476967E+02 -0.19398E-05 -0.14476E-06 528 0.676E-03
1 F= -.90341048E+02 E0= -.90349331E+02 d E =0.248493E-01