./iterations/neb0_image03_iter145_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 0.365930402022E+03 0.36593E+03 -0.14325E+04 632 0.799E+02
DAV: 2 0.215561796196E+01 -0.36377E+03 -0.35160E+03 853 0.195E+02
DAV: 3 -0.961186167938E+02 -0.98274E+02 -0.97955E+02 696 0.116E+02
DAV: 4 -0.100242904442E+03 -0.41243E+01 -0.41145E+01 712 0.269E+01
DAV: 5 -0.100320989465E+03 -0.78085E-01 -0.78059E-01 736 0.335E+00 0.223E+01
DAV: 6 -0.917008874182E+02 0.86201E+01 -0.30825E+01 680 0.298E+01 0.117E+01
DAV: 7 -0.908502252055E+02 0.85066E+00 -0.18152E+00 712 0.635E+00 0.484E+00
DAV: 8 -0.904480766920E+02 0.40215E+00 -0.56537E-01 696 0.432E+00 0.166E+00
DAV: 9 -0.903521510780E+02 0.95926E-01 -0.13390E-01 704 0.177E+00 0.438E-01
DAV: 10 -0.903440460323E+02 0.81050E-02 -0.48406E-02 720 0.116E+00 0.339E-01
DAV: 11 -0.903484226781E+02 -0.43766E-02 -0.95784E-03 608 0.666E-01 0.127E-01
DAV: 12 -0.903503135357E+02 -0.18909E-02 -0.42246E-03 637 0.316E-01 0.114E-01
DAV: 13 -0.903549621229E+02 -0.46486E-02 -0.17852E-03 640 0.285E-01 0.772E-02
DAV: 14 -0.903583056232E+02 -0.33435E-02 -0.87690E-04 663 0.137E-01 0.499E-02
DAV: 15 -0.903606527492E+02 -0.23471E-02 -0.39568E-04 674 0.130E-01 0.205E-02
DAV: 16 -0.903622727561E+02 -0.16200E-02 -0.21793E-04 666 0.719E-02 0.234E-02
DAV: 17 -0.903630398208E+02 -0.76706E-03 -0.12149E-04 808 0.758E-02 0.138E-02
DAV: 18 -0.903633282578E+02 -0.28844E-03 -0.55019E-05 666 0.380E-02 0.124E-02
DAV: 19 -0.903634532282E+02 -0.12497E-03 -0.21837E-05 541 0.342E-02 0.531E-03
DAV: 20 -0.903635332902E+02 -0.80062E-04 -0.13773E-05 448 0.207E-02 0.337E-03
DAV: 21 -0.903635847204E+02 -0.51430E-04 -0.55137E-06 455 0.103E-02 0.225E-03
DAV: 22 -0.903636077849E+02 -0.23064E-04 -0.39749E-06 458 0.110E-02 0.145E-03
DAV: 23 -0.903636133112E+02 -0.55263E-05 -0.10933E-06 504 0.499E-03
1 F= -.90363613E+02 E0= -.90372252E+02 d E =0.259157E-01