./iterations/neb1_max2_image01_iter111_OSZICAR.out output for 41: 3.3A-->1.3A (Job 121) O-H...N hydrogen bond by TSA-OH, TSA-NH2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.284453683560E+03 0.28445E+03 -0.14245E+04 376 0.704E+02
DAV: 2 0.310328839175E+02 -0.25342E+03 -0.24521E+03 528 0.135E+02
DAV: 3 -0.433391892679E+02 -0.74372E+02 -0.63483E+02 524 0.667E+01
DAV: 4 -0.573342052867E+02 -0.13995E+02 -0.10466E+02 592 0.243E+01
DAV: 5 -0.588857799457E+02 -0.15516E+01 -0.14622E+01 560 0.900E+00 0.261E+01
DAV: 6 -0.115297252233E+03 -0.56411E+02 -0.65878E+02 656 0.427E+01 0.475E+01
DAV: 7 -0.532860518091E+02 0.62011E+02 -0.56535E+01 536 0.176E+01 0.278E+01
DAV: 8 -0.465033161903E+02 0.67827E+01 -0.34269E+01 584 0.141E+01 0.244E+01
DAV: 9 -0.443481711486E+02 0.21551E+01 -0.50862E+00 640 0.559E+00 0.239E+01
DAV: 10 -0.429159287287E+02 0.14322E+01 -0.39377E+00 609 0.327E+00 0.315E+01
DAV: 11 -0.414626141693E+02 0.14533E+01 -0.33060E+01 656 0.364E+00 0.176E+01
DAV: 12 -0.462988750844E+02 -0.48363E+01 -0.24779E+01 624 0.750E+00 0.276E+01
DAV: 13 -0.428390907695E+02 0.34598E+01 -0.66068E+00 657 0.498E+00 0.206E+01
DAV: 14 -0.398799345884E+02 0.29592E+01 -0.39608E+00 640 0.360E+00 0.200E+01
DAV: 15 -0.395842339219E+02 0.29570E+00 -0.36108E+00 578 0.212E+00 0.162E+01
DAV: 16 -0.392741375294E+02 0.31010E+00 -0.23831E+00 680 0.141E+00 0.114E+01
DAV: 17 -0.402966078595E+02 -0.10225E+01 -0.49844E+00 673 0.216E+00 0.192E+01
DAV: 18 -0.397429321454E+02 0.55368E+00 -0.31228E+00 688 0.218E+00 0.142E+01
DAV: 19 -0.395821559446E+02 0.16078E+00 -0.86485E-01 667 0.115E+00 0.159E+01
DAV: 20 -0.392268736871E+02 0.35528E+00 -0.21091E+00 640 0.115E+00 0.982E+00
DAV: 21 -0.393792007149E+02 -0.15233E+00 -0.15821E-01 648 0.859E-01 0.116E+01
DAV: 22 -0.393206080142E+02 0.58593E-01 -0.22839E-01 688 0.516E-01 0.968E+00
DAV: 23 -0.393499358679E+02 -0.29328E-01 -0.10114E+00 632 0.774E-01 0.156E+01
DAV: 24 -0.392909636536E+02 0.58972E-01 -0.62451E-02 524 0.487E-01 0.149E+01
DAV: 25 -0.391248357272E+02 0.16613E+00 -0.10261E-01 616 0.309E-01 0.889E+00
DAV: 26 -0.390854617008E+02 0.39374E-01 -0.55675E-01 617 0.622E-01 0.496E+00
DAV: 27 -0.391221782949E+02 -0.36717E-01 -0.56843E-01 642 0.633E-01 0.585E+00
DAV: 28 -0.390959496781E+02 0.26229E-01 -0.22757E-01 648 0.427E-01 0.209E+00
DAV: 29 -0.391218137120E+02 -0.25864E-01 -0.18135E-01 680 0.315E-01 0.508E+00
DAV: 30 -0.391089365003E+02 0.12877E-01 -0.14603E-02 443 0.246E-01 0.386E+00
DAV: 31 -0.391116618259E+02 -0.27253E-02 -0.16686E-01 656 0.298E-01 0.345E+00
DAV: 32 -0.391236129724E+02 -0.11951E-01 -0.15642E-02 411 0.290E-01 0.449E+00
DAV: 33 -0.391055086216E+02 0.18104E-01 -0.15489E-02 658 0.141E-01 0.271E+00
DAV: 34 -0.391126090945E+02 -0.71005E-02 -0.99482E-03 555 0.141E-01 0.280E+00
DAV: 35 -0.391082238792E+02 0.43852E-02 -0.37411E-03 442 0.852E-02 0.203E+00
DAV: 36 -0.391070754524E+02 0.11484E-02 -0.19148E-02 656 0.106E-01 0.296E-01
DAV: 37 -0.391103144160E+02 -0.32390E-02 -0.92498E-04 404 0.106E-01 0.319E-01
DAV: 38 -0.391105020566E+02 -0.18764E-03 -0.62915E-04 512 0.325E-02 0.504E-01
DAV: 39 -0.391105949104E+02 -0.92854E-04 -0.19476E-03 484 0.403E-02 0.133E-01
DAV: 40 -0.391108735248E+02 -0.27861E-03 -0.33905E-04 386 0.352E-02 0.175E-01
DAV: 41 -0.391109513116E+02 -0.77787E-04 -0.55748E-04 348 0.216E-02 0.265E-01
DAV: 42 -0.391108808013E+02 0.70510E-04 -0.17964E-04 331 0.231E-02 0.526E-02
DAV: 43 -0.391109461664E+02 -0.65365E-04 -0.26611E-05 273 0.133E-02 0.248E-02
DAV: 44 -0.391109620257E+02 -0.15859E-04 -0.11035E-05 265 0.781E-03 0.437E-02
DAV: 45 -0.391109687940E+02 -0.67683E-05 -0.12820E-05 244 0.540E-03
1 F= -.39110969E+02 E0= -.39006440E+02 d E =-.313587E+00