./iterations/neb0_image06_iter22_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 0.365117440730E+03 0.36512E+03 -0.14257E+04 632 0.799E+02
DAV: 2 0.325824592598E+01 -0.36186E+03 -0.34900E+03 877 0.194E+02
DAV: 3 -0.943370358012E+02 -0.97595E+02 -0.97137E+02 664 0.115E+02
DAV: 4 -0.988703921761E+02 -0.45334E+01 -0.45192E+01 712 0.282E+01
DAV: 5 -0.989633903690E+02 -0.92998E-01 -0.92963E-01 720 0.361E+00 0.220E+01
DAV: 6 -0.901965899056E+02 0.87668E+01 -0.31719E+01 680 0.306E+01 0.114E+01
DAV: 7 -0.893587202824E+02 0.83787E+00 -0.16620E+00 712 0.686E+00 0.486E+00
DAV: 8 -0.889644024704E+02 0.39432E+00 -0.70320E-01 728 0.469E+00 0.167E+00
DAV: 9 -0.888784777744E+02 0.85925E-01 -0.13631E-01 720 0.184E+00 0.515E-01
DAV: 10 -0.888666718043E+02 0.11806E-01 -0.25899E-02 792 0.774E-01 0.282E-01
DAV: 11 -0.888682035275E+02 -0.15317E-02 -0.98851E-03 608 0.625E-01 0.153E-01
DAV: 12 -0.888706624023E+02 -0.24589E-02 -0.34728E-03 730 0.392E-01 0.104E-01
DAV: 13 -0.888748610908E+02 -0.41987E-02 -0.27210E-03 639 0.270E-01 0.101E-01
DAV: 14 -0.888775718346E+02 -0.27107E-02 -0.11044E-03 653 0.176E-01 0.380E-02
DAV: 15 -0.888805271454E+02 -0.29553E-02 -0.64471E-04 680 0.136E-01 0.384E-02
DAV: 16 -0.888820797924E+02 -0.15526E-02 -0.17979E-04 677 0.812E-02 0.208E-02
DAV: 17 -0.888830736861E+02 -0.99389E-03 -0.19151E-04 754 0.834E-02 0.180E-02
DAV: 18 -0.888834104199E+02 -0.33673E-03 -0.59256E-05 640 0.512E-02 0.137E-02
DAV: 19 -0.888835710017E+02 -0.16058E-03 -0.42589E-05 669 0.400E-02 0.822E-03
DAV: 20 -0.888836657538E+02 -0.94752E-04 -0.15059E-05 429 0.244E-02 0.386E-03
DAV: 21 -0.888837125404E+02 -0.46787E-04 -0.84533E-06 477 0.148E-02 0.308E-03
DAV: 22 -0.888837305643E+02 -0.18024E-04 -0.46265E-06 410 0.132E-02 0.243E-03
DAV: 23 -0.888837399482E+02 -0.93838E-05 -0.18468E-06 436 0.758E-03
1 F= -.88883740E+02 E0= -.88887693E+02 d E =0.118588E-01