Tutorial example gives zero-valued TwoParticleGF? #5
Comments
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Hi Hugo,
You were doing it correct. Fixed it, should work now.
There was an update in Pomerol to have a default behavior of caching TwoParticicle GF into a container and drop the two particle poles after calculation due to memory restrictions. The GF was zero because no frequencies were provided.
It is switched now off in this example. It seems like a warning is required.
Andrey.
P.S. How’s working in Paris?
… On Apr 12, 2017, at 8:50 AM, Hugo Strand ***@***.***> wrote:
Dear Antipov and Igor,
I'm trying to use your tutorial example with the Hubbard dimer in ./tutorial/example2site.cpp. But I'm only getting zeros for the two-particle greens function, see below. What am I doing wrong?
Best regards, Hugo
Sites
Site "A", 1 orbital, 2 spins.
Site "B", 1 orbital, 2 spins.
Terms
-1*c^{+}_{A,0,0}c_{B,0,0}
-1*c^{+}_{B,0,0}c_{A,0,0}
-1*c^{+}_{A,0,1}c_{B,0,1}
-1*c^{+}_{B,0,1}c_{A,0,1}
-1*c^{+}_{A,0,0}c_{A,0,0}
-1*c^{+}_{A,0,1}c_{A,0,1}
-1*c^{+}_{B,0,0}c_{B,0,0}
-1*c^{+}_{B,0,1}c_{B,0,1}
Terms with 4 operators
2*c^{+}_{A,0,1}c_{A,0,1}c^{+}_{A,0,0}c_{A,0,0}
2*c^{+}_{B,0,1}c_{B,0,1}c^{+}_{B,0,0}c_{B,0,0}
=======
Indices
=======
Index 0 = (A,0,0)
Index 1 = (A,0,1)
Index 2 = (B,0,0)
Index 3 = (B,0,1)
======================
Matrix element storage
======================
Terms
-1*C^+(0)C(0) + -1*C^+(0)C(2) + -1*C^+(1)C(1) + -1*C^+(1)C(3) + -1*C^+(2)C(0) + -1*C^+(2)C(2) + -1*C^+(3)C(1) + -1*C^+(3)C(3) + -2*C^+(0)C^+(1)C(0)C(1) + -2*C^+(2)C^+(3)C(2)C(3)
N terms
1*C^+(0)C(0) + 1*C^+(1)C(1) + 1*C^+(2)C(2) + 1*C^+(3)C(3)
H commutes with N
[ H ,1*C^+(0)C(0) + 1*C^+(1)C(1) + 1*C^+(2)C(2) + 1*C^+(3)C(3) ]=0
[ H ,-0.5*C^+(0)C(0) + 0.5*C^+(1)C(1) + -0.5*C^+(2)C(2) + 0.5*C^+(3)C(3) ]=0
Preparing Hamiltonian parts...Calculating 9 jobs using 1 procs.
Calculating 9 jobs using 1 procs.
[4/9] P0 : part 3 [4] run;
[2/9] P0 : part 1 [2] run;
[3/9] P0 : part 2 [2] run;
[6/9] P0 : part 5 [2] run;
[8/9] P0 : part 7 [2] run;
[1/9] P0 : part 0 [1] run;
[5/9] P0 : part 4 [1] run;
[7/9] P0 : part 6 [1] run;
[9/9] P0 : part 8 [1] run;
done.
The value of ground energy is -3.23607
CreationOperator_1: 6 parts will be computed
Computing 1*C^+(1) in eigenbasis of the Hamiltonian: 0 16 33 50 66 83
AnnihilationOperator_1: 6 parts will be computed
Computing 1*C(1) in eigenbasis of the Hamiltonian: 0 16 33 50 66 83
0 | (-5.9535e-17,-0.184554)
1 | (-3.51059e-17,-0.373873)
2 | (-2.71198e-17,-0.37882)
3 | (-2.1774e-18,-0.3349)
4 | (-9.39264e-18,-0.289338)
5 | (-1.58814e-17,-0.251146)
6 | (-7.4351e-18,-0.220407)
7 | (-1.4935e-17,-0.195678)
8 | (-9.70438e-18,-0.17557)
9 | (-7.68787e-18,-0.158998)
TwoParticleGF(1111): 24 parts will be calculated
Calculating 24 jobs using 1 procs.
[1/24] P0 : part 0 [1] run;
Total 8+8=16 terms -> 6+7=13, tols = 1.11111e-07 (coeff), 1e-08 (res)
[2/24] P0 : part 1 [1] run;
Total 8+8=16 terms -> 4+3=7, tols = 1.11111e-07 (coeff), 1e-08 (res)
[3/24] P0 : part 2 [1] run;
Total 8+8=16 terms -> 6+7=13, tols = 1.11111e-07 (coeff), 1e-08 (res)
[4/24] P0 : part 3 [1] run;
Total 8+8=16 terms -> 4+3=7, tols = 1.11111e-07 (coeff), 1e-08 (res)
[5/24] P0 : part 4 [1] run;
Total 128+122=250 terms -> 94+96=190, tols = 8.13008e-09 (coeff), 1e-08 (res)
[6/24] P0 : part 5 [1] run;
Total 128+122=250 terms -> 94+96=190, tols = 8.13008e-09 (coeff), 1e-08 (res)
[7/24] P0 : part 6 [1] run;
Total 128+122=250 terms -> 94+96=190, tols = 8.13008e-09 (coeff), 1e-08 (res)
[8/24] P0 : part 7 [1] run;
Total 128+122=250 terms -> 94+96=190, tols = 8.13008e-09 (coeff), 1e-08 (res)
[9/24] P0 : part 8 [1] run;
Total 8+8=16 terms -> 8+7=15, tols = 1.11111e-07 (coeff), 1e-08 (res)
[10/24] P0 : part 9 [1] run;
Total 8+8=16 terms -> 8+7=15, tols = 1.11111e-07 (coeff), 1e-08 (res)
[11/24] P0 : part 10 [1] run;
Total 8+8=16 terms -> 6+7=13, tols = 1.11111e-07 (coeff), 1e-08 (res)
[12/24] P0 : part 11 [1] run;
Total 8+8=16 terms -> 6+7=13, tols = 1.11111e-07 (coeff), 1e-08 (res)
[13/24] P0 : part 12 [1] run;
Total 128+122=250 terms -> 94+96=190, tols = 8.13008e-09 (coeff), 1e-08 (res)
[14/24] P0 : part 13 [1] run;
Total 128+122=250 terms -> 94+96=190, tols = 8.13008e-09 (coeff), 1e-08 (res)
[15/24] P0 : part 14 [1] run;
Total 128+122=250 terms -> 94+96=190, tols = 8.13008e-09 (coeff), 1e-08 (res)
[16/24] P0 : part 15 [1] run;
Total 128+122=250 terms -> 94+96=190, tols = 8.13008e-09 (coeff), 1e-08 (res)
[17/24] P0 : part 16 [1] run;
Total 8+8=16 terms -> 6+7=13, tols = 1.11111e-07 (coeff), 1e-08 (res)
[18/24] P0 : part 17 [1] run;
Total 8+8=16 terms -> 8+7=15, tols = 1.11111e-07 (coeff), 1e-08 (res)
[19/24] P0 : part 18 [1] run;
Total 8+8=16 terms -> 6+7=13, tols = 1.11111e-07 (coeff), 1e-08 (res)
[20/24] P0 : part 19 [1] run;
Total 8+8=16 terms -> 8+7=15, tols = 1.11111e-07 (coeff), 1e-08 (res)
[21/24] P0 : part 20 [1] run;
Total 8+8=16 terms -> 4+3=7, tols = 1.11111e-07 (coeff), 1e-08 (res)
[22/24] P0 : part 21 [1] run;
Total 8+8=16 terms -> 4+3=7, tols = 1.11111e-07 (coeff), 1e-08 (res)
[23/24] P0 : part 22 [1] run;
Total 8+8=16 terms -> 6+7=13, tols = 1.11111e-07 (coeff), 1e-08 (res)
[24/24] P0 : part 23 [1] run;
Total 8+8=16 terms -> 6+7=13, tols = 1.11111e-07 (coeff), 1e-08 (res)
done.
-2 -2 -2|(0,0)
-2 -2 -1|(0,0)
-2 -2 0|(0,0)
-2 -2 1|(0,0)
-2 -1 -2|(0,0)
-2 -1 -1|(0,0)
-2 -1 0|(0,0)
-2 -1 1|(0,0)
-2 0 -2|(0,0)
-2 0 -1|(0,0)
-2 0 0|(0,0)
-2 0 1|(0,0)
-2 1 -2|(0,0)
-2 1 -1|(0,0)
-2 1 0|(0,0)
-2 1 1|(0,0)
-1 -2 -2|(0,0)
-1 -2 -1|(0,0)
-1 -2 0|(0,0)
-1 -2 1|(0,0)
-1 -1 -2|(0,0)
-1 -1 -1|(0,0)
-1 -1 0|(0,0)
-1 -1 1|(0,0)
-1 0 -2|(0,0)
-1 0 -1|(0,0)
-1 0 0|(0,0)
-1 0 1|(0,0)
-1 1 -2|(0,0)
-1 1 -1|(0,0)
-1 1 0|(0,0)
-1 1 1|(0,0)
0 -2 -2|(0,0)
0 -2 -1|(0,0)
0 -2 0|(0,0)
0 -2 1|(0,0)
0 -1 -2|(0,0)
0 -1 -1|(0,0)
0 -1 0|(0,0)
0 -1 1|(0,0)
0 0 -2|(0,0)
0 0 -1|(0,0)
0 0 0|(0,0)
0 0 1|(0,0)
0 1 -2|(0,0)
0 1 -1|(0,0)
0 1 0|(0,0)
0 1 1|(0,0)
1 -2 -2|(0,0)
1 -2 -1|(0,0)
1 -2 0|(0,0)
1 -2 1|(0,0)
1 -1 -2|(0,0)
1 -1 -1|(0,0)
1 -1 0|(0,0)
1 -1 1|(0,0)
1 0 -2|(0,0)
1 0 -1|(0,0)
1 0 0|(0,0)
1 0 1|(0,0)
1 1 -2|(0,0)
1 1 -1|(0,0)
1 1 0|(0,0)
1 1 1|(0,0)
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Hey, Thank you for the rapid reply and fix. It works fine now. Cheers, H |
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Dear Andrey and Igor,
I'm trying to use your tutorial example with the Hubbard dimer in ./tutorial/example2site.cpp. But I'm only getting zeros for the two-particle greens function, see below. What am I doing wrong?
Best regards, Hugo
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