iterations/neb0_image04_iter113_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 0.370638894626E+03 0.37064E+03 -0.14318E+04 632 0.799E+02
DAV: 2 0.399793119719E+01 -0.36664E+03 -0.35470E+03 858 0.195E+02
DAV: 3 -0.955352387400E+02 -0.99533E+02 -0.99220E+02 685 0.116E+02
DAV: 4 -0.998987742109E+02 -0.43635E+01 -0.43528E+01 704 0.277E+01
DAV: 5 -0.999827773074E+02 -0.84003E-01 -0.83965E-01 720 0.347E+00 0.222E+01
DAV: 6 -0.914354973515E+02 0.85473E+01 -0.30051E+01 693 0.295E+01 0.116E+01
DAV: 7 -0.905763226922E+02 0.85917E+00 -0.17640E+00 704 0.628E+00 0.480E+00
DAV: 8 -0.901781141248E+02 0.39821E+00 -0.55818E-01 712 0.421E+00 0.165E+00
DAV: 9 -0.900837050534E+02 0.94409E-01 -0.13235E-01 712 0.177E+00 0.443E-01
DAV: 10 -0.900739653110E+02 0.97397E-02 -0.57665E-02 709 0.138E+00 0.353E-01
DAV: 11 -0.900782758224E+02 -0.43105E-02 -0.16802E-02 624 0.779E-01 0.161E-01
DAV: 12 -0.900791961398E+02 -0.92032E-03 -0.46780E-03 631 0.351E-01 0.144E-01
DAV: 13 -0.900829388860E+02 -0.37427E-02 -0.48111E-03 845 0.512E-01 0.885E-02
DAV: 14 -0.900863540587E+02 -0.34152E-02 -0.13441E-03 653 0.192E-01 0.707E-02
DAV: 15 -0.900885115244E+02 -0.21575E-02 -0.48038E-04 733 0.131E-01 0.317E-02
DAV: 16 -0.900901296239E+02 -0.16181E-02 -0.33296E-04 680 0.985E-02 0.244E-02
DAV: 17 -0.900913135373E+02 -0.11839E-02 -0.11600E-04 631 0.447E-02 0.218E-02
DAV: 18 -0.900917165119E+02 -0.40297E-03 -0.64322E-05 664 0.412E-02 0.801E-03
DAV: 19 -0.900918736625E+02 -0.15715E-03 -0.18495E-05 471 0.234E-02 0.504E-03
DAV: 20 -0.900919368798E+02 -0.63217E-04 -0.10020E-05 456 0.141E-02 0.633E-03
DAV: 21 -0.900919672357E+02 -0.30356E-04 -0.33711E-06 447 0.111E-02 0.310E-03
DAV: 22 -0.900919838206E+02 -0.16585E-04 -0.74021E-06 436 0.138E-02 0.277E-03
DAV: 23 -0.900919842601E+02 -0.43944E-06 -0.91819E-07 544 0.529E-03
1 F= -.90091984E+02 E0= -.90096261E+02 d E =0.128295E-01