./iterations/neb0_image07_iter18_OSZICAR.out output for 3: 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
running
N E dE d eps ncg rms rms(c)
DAV: 1 0.145198908309E+04 0.14520E+04 -0.44244E+04 330 0.697E+02
DAV: 2 0.228457657589E+03 -0.12235E+04 -0.11474E+04 426 0.163E+02
DAV: 3 -0.364850308215E+03 -0.59331E+03 -0.58982E+03 354 0.114E+02
DAV: 4 -0.433139220719E+03 -0.68289E+02 -0.68034E+02 318 0.492E+01
DAV: 5 -0.434629772128E+03 -0.14906E+01 -0.14880E+01 318 0.759E+00 0.427E+01
DAV: 6 -0.388764704623E+03 0.45865E+02 -0.14859E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385308548510E+03 0.34562E+01 -0.12983E+01 345 0.778E+00 0.104E+01
DAV: 8 -0.383839300341E+03 0.14692E+01 -0.18117E+00 345 0.379E+00 0.425E+00
DAV: 9 -0.383300835622E+03 0.53846E+00 -0.11030E+00 336 0.213E+00 0.101E+00
DAV: 10 -0.383240162568E+03 0.60673E-01 -0.10733E-01 336 0.912E-01 0.815E-01
DAV: 11 -0.383201919788E+03 0.38243E-01 -0.77896E-02 345 0.723E-01 0.736E-01
DAV: 12 -0.383185683032E+03 0.16237E-01 -0.12262E-01 327 0.514E-01 0.461E-01
DAV: 13 -0.383172052730E+03 0.13630E-01 -0.51276E-02 309 0.435E-01 0.386E-01
DAV: 14 -0.383170307652E+03 0.17451E-02 -0.31169E-02 318 0.331E-01 0.526E-01
DAV: 15 -0.383170277407E+03 0.30246E-04 -0.28123E-02 300 0.257E-01 0.141E-01
DAV: 16 -0.383181900374E+03 -0.11623E-01 -0.49803E-03 291 0.232E-01 0.929E-02
DAV: 17 -0.383190788419E+03 -0.88880E-02 -0.29688E-03 318 0.165E-01 0.774E-02
DAV: 18 -0.383200427163E+03 -0.96387E-02 -0.13820E-03 336 0.116E-01 0.544E-02
DAV: 19 -0.383208942005E+03 -0.85148E-02 -0.53082E-04 309 0.603E-02 0.458E-02
DAV: 20 -0.383213952394E+03 -0.50104E-02 -0.24834E-04 327 0.356E-02 0.206E-02
DAV: 21 -0.383219504897E+03 -0.55525E-02 -0.42545E-04 300 0.380E-02 0.282E-02
DAV: 22 -0.383220878623E+03 -0.13737E-02 -0.70961E-05 318 0.171E-02 0.133E-02
DAV: 23 -0.383221918086E+03 -0.10395E-02 -0.51423E-05 273 0.151E-02 0.617E-03
DAV: 24 -0.383222365231E+03 -0.44715E-03 -0.91939E-06 228 0.704E-03 0.560E-03
DAV: 25 -0.383222734734E+03 -0.36950E-03 -0.14956E-05 219 0.788E-03 0.299E-03
DAV: 26 -0.383222884226E+03 -0.14949E-03 -0.43305E-06 228 0.452E-03 0.305E-03
DAV: 27 -0.383222977952E+03 -0.93726E-04 -0.30046E-06 201 0.406E-03 0.145E-03
DAV: 28 -0.383223039758E+03 -0.61806E-04 -0.20970E-06 210 0.299E-03 0.110E-03
DAV: 29 -0.383223063168E+03 -0.23410E-04 -0.11008E-06 219 0.256E-03 0.785E-04
DAV: 30 -0.383223083929E+03 -0.20760E-04 -0.86987E-07 201 0.180E-03 0.770E-04
DAV: 31 -0.383223088558E+03 -0.46292E-05 -0.28655E-07 228 0.115E-03
1 F= -.38322309E+03 E0= -.38323651E+03 d E =0.402518E-01