./iterations/neb0_image08_iter236_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 0.374462111376E+03 0.37446E+03 -0.14286E+04 624 0.799E+02
DAV: 2 0.366499337077E+01 -0.37080E+03 -0.35832E+03 869 0.196E+02
DAV: 3 -0.967981628078E+02 -0.10046E+03 -0.10015E+03 672 0.117E+02
DAV: 4 -0.101290948183E+03 -0.44928E+01 -0.44803E+01 720 0.284E+01
DAV: 5 -0.101377906568E+03 -0.86958E-01 -0.86910E-01 736 0.359E+00 0.228E+01
DAV: 6 -0.926691706693E+02 0.87087E+01 -0.30944E+01 717 0.300E+01 0.119E+01
DAV: 7 -0.917925047526E+02 0.87667E+00 -0.17361E+00 712 0.614E+00 0.480E+00
DAV: 8 -0.914153548295E+02 0.37715E+00 -0.55081E-01 720 0.398E+00 0.161E+00
DAV: 9 -0.913362125973E+02 0.79142E-01 -0.13102E-01 728 0.154E+00 0.420E-01
DAV: 10 -0.913283155788E+02 0.78970E-02 -0.44957E-02 736 0.108E+00 0.303E-01
DAV: 11 -0.913331648432E+02 -0.48493E-02 -0.13670E-02 616 0.606E-01 0.147E-01
DAV: 12 -0.913361815690E+02 -0.30167E-02 -0.28620E-03 631 0.223E-01 0.116E-01
DAV: 13 -0.913400413912E+02 -0.38598E-02 -0.29763E-03 671 0.289E-01 0.622E-02
DAV: 14 -0.913430374142E+02 -0.29960E-02 -0.84442E-04 664 0.158E-01 0.243E-02
DAV: 15 -0.913445808108E+02 -0.15434E-02 -0.15769E-04 664 0.593E-02 0.143E-02
DAV: 16 -0.913456496266E+02 -0.10688E-02 -0.13401E-04 652 0.547E-02 0.116E-02
DAV: 17 -0.913458722986E+02 -0.22267E-03 -0.14333E-05 496 0.218E-02 0.904E-03
DAV: 18 -0.913460492683E+02 -0.17697E-03 -0.34473E-05 554 0.303E-02 0.414E-03
DAV: 19 -0.913460900080E+02 -0.40740E-04 -0.35617E-06 512 0.126E-02 0.275E-03
DAV: 20 -0.913461196259E+02 -0.29618E-04 -0.61916E-06 409 0.135E-02 0.246E-03
DAV: 21 -0.913461274789E+02 -0.78530E-05 -0.13900E-06 461 0.665E-03
1 F= -.91346127E+02 E0= -.91351216E+02 d E =0.152659E-01