WARNING : did not converge in ot_eigensolver
Rieska Amilia
riesk... at gmail.com
Mon Mar 21 04:44:07 UTC 2016
i wanna ask something.. please help me,,,,
this is my toruble
outer SCF iter = 1001 RMS gradient = 0.10E-06 energy =
-77.8024999185
* outer SCF loop FAILED to converge after 1001 iterations or 2708 steps*
Eigenvalues of the occupied subspace spin 1
and 20 added MO eigenvalues
---------------------------------------------
Fermi Energy [eV] : 1.500838
Lowest Eigenvalues of the unoccupied subspace spin 1
-----------------------------------------------------
* WARNING : did not converge in ot_eigensolver*
number of iterations 5999 exceeded maximum
current gradient / target gradient 5.4773656935755210E-005 /
1.0000000000000000E-010
0.17441156
what should i do with my warning?this is my .inp and .out also...
best regards,
rieska amilia
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