iterations/neb0_image06_iter18_OSZICAR.out output for 43: 3.6A-->1.6A 715(amd-3) Si-CH2H...H2HC-Si two dimer closed (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.162082207222E+04 0.16208E+04 -0.42284E+04 306 0.697E+02
DAV: 2 0.301218071718E+03 -0.13196E+04 -0.12412E+04 420 0.168E+02
DAV: 3 -0.357940197747E+03 -0.65916E+03 -0.65489E+03 364 0.123E+02
DAV: 4 -0.433246307716E+03 -0.75306E+02 -0.75032E+02 308 0.528E+01
DAV: 5 -0.434936352918E+03 -0.16900E+01 -0.16876E+01 348 0.811E+00 0.427E+01
DAV: 6 -0.388920604222E+03 0.46016E+02 -0.15061E+02 316 0.286E+01 0.209E+01
DAV: 7 -0.385430471641E+03 0.34901E+01 -0.12548E+01 332 0.771E+00 0.104E+01
DAV: 8 -0.384010062752E+03 0.14204E+01 -0.26767E+00 332 0.390E+00 0.434E+00
DAV: 9 -0.383463173505E+03 0.54689E+00 -0.90575E-01 324 0.204E+00 0.115E+00
DAV: 10 -0.383394777247E+03 0.68396E-01 -0.25110E-01 340 0.100E+00 0.868E-01
DAV: 11 -0.383368879674E+03 0.25898E-01 -0.41162E-02 316 0.509E-01 0.581E-01
DAV: 12 -0.383352330435E+03 0.16549E-01 -0.11417E-01 316 0.496E-01 0.463E-01
DAV: 13 -0.383344026070E+03 0.83044E-02 -0.15617E-02 316 0.330E-01 0.414E-01
DAV: 14 -0.383344836082E+03 -0.81001E-03 -0.63882E-02 332 0.372E-01 0.479E-01
DAV: 15 -0.383349021937E+03 -0.41859E-02 -0.28545E-02 340 0.292E-01 0.403E-01
DAV: 16 -0.383353115767E+03 -0.40938E-02 -0.51911E-03 316 0.187E-01 0.167E-01
DAV: 17 -0.383360644929E+03 -0.75292E-02 -0.18513E-03 284 0.111E-01 0.116E-01
DAV: 18 -0.383372570836E+03 -0.11926E-01 -0.26465E-03 300 0.133E-01 0.973E-02
DAV: 19 -0.383381351921E+03 -0.87811E-02 -0.19298E-03 308 0.115E-01 0.732E-02
DAV: 20 -0.383389104804E+03 -0.77529E-02 -0.65630E-04 300 0.606E-02 0.433E-02
DAV: 21 -0.383393835164E+03 -0.47304E-02 -0.30854E-04 332 0.423E-02 0.225E-02
DAV: 22 -0.383396650106E+03 -0.28149E-02 -0.14930E-04 308 0.283E-02 0.240E-02
DAV: 23 -0.383399271201E+03 -0.26211E-02 -0.13850E-04 300 0.214E-02 0.189E-02
DAV: 24 -0.383399926226E+03 -0.65503E-03 -0.40542E-05 300 0.131E-02 0.128E-02
DAV: 25 -0.383400375905E+03 -0.44968E-03 -0.13999E-05 220 0.918E-03 0.681E-03
DAV: 26 -0.383400780754E+03 -0.40485E-03 -0.21113E-05 252 0.821E-03 0.595E-03
DAV: 27 -0.383400933834E+03 -0.15308E-03 -0.51335E-06 228 0.665E-03 0.425E-03
DAV: 28 -0.383401016883E+03 -0.83049E-04 -0.54647E-06 220 0.553E-03 0.377E-03
DAV: 29 -0.383401039195E+03 -0.22312E-04 -0.12137E-06 236 0.365E-03 0.158E-03
DAV: 30 -0.383401073807E+03 -0.34612E-04 -0.20082E-06 212 0.332E-03 0.176E-03
DAV: 31 -0.383401090944E+03 -0.17137E-04 -0.63835E-07 220 0.242E-03 0.800E-04
DAV: 32 -0.383401105435E+03 -0.14491E-04 -0.87042E-07 212 0.223E-03 0.135E-03
DAV: 33 -0.383401112241E+03 -0.68058E-05 -0.21514E-07 228 0.130E-03
1 F= -.38340111E+03 E0= -.38341432E+03 d E =0.396208E-01