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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