ADC(2) excited energy Davidson not converge

Questions
#1

Hi guys,
When i ran a adc(2) caculation ,the excited energy is not converged ,i have increase the MAXITER but it did not work .

$rem
METHOD ADC(2)
BASIS  cc-pvdz
AUX_BASIS  rimp2-cc-pvdz
CC_MEMORY 245000
MEM_TOTAL  =  248000
MEM_STATIC = 3000
THREADS    28
EE_SINGLETS = 2
EE_TRIPLETS = 2
CC_SYMMETRY FALSE
ADC_DO_DIIS true
MAX_SCF_CYCLES 512
IQMOL_FCHK  =  TRUE
NTO_PAIRS = 2
ADC_DIIS_MAXITER  512
ADC_DAVIDSON_MAXITER 512
$end


  502    6    0  8.759e-05  1.731e-04  0.2923 n n             
  503    8    0  1.086e-04  2.146e-04  0.2923 n n             
  504   10    0  1.252e-04  2.475e-04  0.2923 n n             
  505    4    0  1.065e-04  2.105e-04  0.2923 n n             Subspace collapsed.
  506    6    0  1.093e-04  2.161e-04  0.2923 n n             
  507    8    0  1.612e-04  3.188e-04  0.2923 n n             
  508   10    0  2.180e-04  4.313e-04  0.2923 n n             
  509    4    0  1.668e-04  3.300e-04  0.2923 n n             Subspace collapsed.
  510    6    0  1.431e-04  2.830e-04  0.2923 n n             
  511    8    0  1.161e-04  2.297e-04  0.2923 n n             
--------------------------------------------------------------------------------
  Davidson Summary: 
 ------------------------------------------------------------
  State  0: excitation energy =   0.2923 a.u.   (not converged)
  State  1: excitation energy =   0.2925 a.u.   (not converged)
 ------------------------------------------------------------

Many thanks.

#2

Hey,

You can try to decrease the convergence criteria from 6 to 5 :
ADC_DAVIDSON_CONV 5

I hope that will help
Laure

#3

Thanks Laure. I will try it.