iterations/neb0_image03_iter21_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 0.363355902378E+03 0.36336E+03 -0.14290E+04 632 0.799E+02
DAV: 2 0.418477538013E+01 -0.35917E+03 -0.34613E+03 837 0.194E+02
DAV: 3 -0.949828791319E+02 -0.99168E+02 -0.98800E+02 696 0.115E+02
DAV: 4 -0.994104357449E+02 -0.44276E+01 -0.44167E+01 728 0.274E+01
DAV: 5 -0.994959543564E+02 -0.85519E-01 -0.85475E-01 736 0.342E+00 0.219E+01
DAV: 6 -0.909818082155E+02 0.85141E+01 -0.30680E+01 688 0.297E+01 0.114E+01
DAV: 7 -0.901653277897E+02 0.81648E+00 -0.17099E+00 736 0.638E+00 0.480E+00
DAV: 8 -0.897695831094E+02 0.39574E+00 -0.61417E-01 736 0.452E+00 0.164E+00
DAV: 9 -0.896811684237E+02 0.88415E-01 -0.13059E-01 728 0.166E+00 0.445E-01
DAV: 10 -0.896732759017E+02 0.78925E-02 -0.45796E-02 728 0.112E+00 0.332E-01
DAV: 11 -0.896772054212E+02 -0.39295E-02 -0.82496E-03 616 0.572E-01 0.110E-01
DAV: 12 -0.896799474391E+02 -0.27420E-02 -0.48409E-03 628 0.311E-01 0.130E-01
DAV: 13 -0.896834435160E+02 -0.34961E-02 -0.23996E-03 840 0.377E-01 0.822E-02
DAV: 14 -0.896864518625E+02 -0.30083E-02 -0.99206E-04 639 0.141E-01 0.659E-02
DAV: 15 -0.896888687226E+02 -0.24169E-02 -0.59673E-04 706 0.145E-01 0.311E-02
DAV: 16 -0.896901505077E+02 -0.12818E-02 -0.31131E-04 688 0.901E-02 0.287E-02
DAV: 17 -0.896908071382E+02 -0.65663E-03 -0.67625E-05 680 0.489E-02 0.155E-02
DAV: 18 -0.896912560586E+02 -0.44892E-03 -0.11310E-04 658 0.531E-02 0.121E-02
DAV: 19 -0.896912934557E+02 -0.37397E-04 -0.65402E-06 528 0.207E-02 0.732E-03
DAV: 20 -0.896913762350E+02 -0.82779E-04 -0.30269E-05 567 0.300E-02 0.632E-03
DAV: 21 -0.896914003597E+02 -0.24125E-04 -0.42827E-06 496 0.172E-02 0.236E-03
DAV: 22 -0.896914229263E+02 -0.22567E-04 -0.88944E-06 436 0.166E-02 0.399E-03
DAV: 23 -0.896914310431E+02 -0.81168E-05 -0.15401E-06 480 0.749E-03
1 F= -.89691431E+02 E0= -.89699041E+02 d E =0.228286E-01