[Smeagol-discuss] stay for a long time when running the transport calculations!

[Mingsu Si]

Dear all,

When I run the transport calculations, the program stay for a long time at
the the following step. What's the possible problem about it?
Any information are welcome.

sims



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siesta:      3.64339   9.66028  52.14890  1      147
siesta:      3.05380   0.73510  49.84533  1      148
siesta:      1.80091   5.98288  49.81887  1      149
siesta:      1.59871   4.60337  52.16969  1      150
siesta:      5.14006  -1.04691  49.85855  1      151
siesta:      6.40050  -1.63650  52.19993  1      152
siesta:      2.26200   1.91618  52.18292  1      153
siesta:     10.49932  -1.41163  49.85100  1      154
siesta:      9.15384  -1.81036  52.20182  1      155
siesta:     12.81802   0.03402  49.84911  1      156
siesta:     13.77611   1.06014  52.19615  1      157
siesta:     14.83247   3.60938  52.19048  1      158

initatomlists: Number of atoms, orbitals, and projectors:    158  2006  2486

siesta: System type = chain

* Maximum dynamic memory allocated =     3 MB

siesta:                 ===============================
SMEAGOL                 Bias step =    0, V =  0.000 Ry
                            Begin CG move =      0
                        ===============================

InitMesh: MESH =   128 x   128 x   240 =     3932160
InitMesh: Mesh cutoff (required, used) =   200.000   205.308 Ry

* Maximum dynamic memory allocated =  1085 MB
gensvd: Leads decimation
gensvd: Dim of H1 and S1 :    520
gensvd: Rank of H1:            57
gensvd: Rank of (H1,S1):      217
gensvd: Decimated states:     246
gensvd: Decimation from the right
gensvd: Leads decimation
gensvd: Dim of H1 and S1 :    520
gensvd: Rank of H1:            57
gensvd: Rank of (H1,S1):      217
gensvd: Decimated states:     246
gensvd: Decimation from the right
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