Greetings,
I am doing a calculation of Ti cluster, and when I used RICC2 on excited state energies, the following error was reported
dimension of red. space became too large.
try internal restart...
After several of that, the calculation died. Can anyone please give some suggestions?
Thanks a lot!
---RICC2 OUTPUT FOR EXCITED STATE---
**************************************************************
* *
* OPTIMIZATION OF THE EXCITED STATE CLUSTER AMPLITUDES *
* *
**************************************************************
preoptimize excitation energies/vectors using CCS:
==================================================
======== LINEAR CC RESPONSE SOLVER ========
threshold for convergence:0.10E-02
maximum number of simultaneous jacoby matrix transformations: 30
Iter #Vectors time (min) max. residual
--------------------------------------------
summary of start vectors generation:
-------------------------------------------
type of solution vectors : RE0
symmetry : a
number of vectors requested : 30
number of vectors generated : 30
-- restarted from file : 0
-- from root homing vectors : 0
-- supplied by input : 0
-- guessed as rhs/(e_a-e_i) : 30
skipped because of zero norm : 0
skipped because of linear dep.: 0
-------------------------------------------
1 30 12.43 0.92E-01 ( 3) 0.00E+00
2 30 7.43 0.83E-01 ( 21) 0.75E-29
dimension of red. space became too large.
try internal restart...
3 30 12.32 0.12E+00 ( 28) 0.32E-28
summary of start vectors generation:
-------------------------------------------
type of solution vectors : RE0
symmetry : a
number of vectors requested : 30
number of vectors generated : 30
-- restarted from file : 30
-- from root homing vectors : 0
-- supplied by input : 0
-- guessed as rhs/(e_a-e_i) : 0
skipped because of zero norm : 0
skipped because of linear dep.: 0
-------------------------------------------
4 30 11.42 0.12E+00 ( 28) 0.27E-29
5 30 12.60 0.78E-01 ( 30) 0.77E-28
dimension of red. space became too large.
try internal restart...
6 30 12.82 0.58E-01 ( 29) 0.27E-27
summary of start vectors generation:
-------------------------------------------
type of solution vectors : RE0
symmetry : a
number of vectors requested : 30
number of vectors generated : 30
-- restarted from file : 30
-- from root homing vectors : 0
-- supplied by input : 0
-- guessed as rhs/(e_a-e_i) : 0
skipped because of zero norm : 0
skipped because of linear dep.: 0
-------------------------------------------
7 30 12.33 0.58E-01 ( 29) 0.26E-29
8 30 7.81 0.25E-01 ( 30) 0.31E-27
dimension of red. space became too large.
try internal restart...
9 30 11.91 0.23E-01 ( 29) 0.17E-26
summary of start vectors generation:
-------------------------------------------
type of solution vectors : RE0
symmetry : a
number of vectors requested : 30
number of vectors generated : 30
-- restarted from file : 30
-- from root homing vectors : 0
-- supplied by input : 0
-- guessed as rhs/(e_a-e_i) : 0
skipped because of zero norm : 0
skipped because of linear dep.: 0
-------------------------------------------
10 30 11.57 0.23E-01 ( 29) 0.33E-29
11 25 10.65 0.18E-01 ( 29) 0.14E-26
12 20 8.70 0.22E-01 ( 27) 0.46E-26
dimension of red. space became too large.
try internal restart...
13 18 8.62 0.21E-01 ( 26) 0.13E-25
summary of start vectors generation:
-------------------------------------------
type of solution vectors : RE0
symmetry : a
number of vectors requested : 30
number of vectors generated : 30
-- restarted from file : 30
-- from root homing vectors : 0
-- supplied by input : 0
-- guessed as rhs/(e_a-e_i) : 0
skipped because of zero norm : 0
skipped because of linear dep.: 0
-------------------------------------------
14 30 9.23 0.21E-01 ( 26) 0.35E-29
15 18 5.83 0.16E-01 ( 26) 0.51E-26
16 18 7.24 0.64E-02 ( 26) 0.18E-25
17 12 4.75 0.40E-02 ( 26) 0.30E-25
dimension of red. space became too large.
try internal restart...
18 12 4.47 0.58E-02 ( 26) 0.54E-25
summary of start vectors generation:
-------------------------------------------
type of solution vectors : RE0
symmetry : a
number of vectors requested : 30
number of vectors generated : 30
-- restarted from file : 30
-- from root homing vectors : 0
-- supplied by input : 0
-- guessed as rhs/(e_a-e_i) : 0
skipped because of zero norm : 0
skipped because of linear dep.: 0
-------------------------------------------
19 30 11.78 0.58E-02 ( 26) 0.38E-29
20 12 5.50 0.37E-02 ( 26) 0.14E-25
21 10 4.31 0.40E-02 ( 26) 0.36E-25
22 10 4.20 0.42E-02 ( 26) 0.79E-25
23 9 4.03 0.40E-02 ( 30) 0.11E-24
24 7 3.48 0.35E-02 ( 30) 0.11E-24
25 4 1.65 0.19E-02 ( 30) 0.12E-24
