You are right.Just because I wanted to use the double-grid method to save k-points! I don't think I can do this in other schemes?
Best,
D.
Moderators: Davide Sangalli, Daniele Varsano, andrea.ferretti, andrea marini, Conor Hogan, myrta gruning
You are right.Just because I wanted to use the double-grid method to save k-points! I don't think I can do this in other schemes?
Code: Select all
<01m-49s> P4-compute-0-2.local: [WARNING]Allocation attempt of WS%v_cmplx of zero size.
P4-compute-0-2.local: [ERROR] STOP signal received while in :[07.01] Diago Solver @q1
P4-compute-0-2.local: [ERROR]LINEAR ALGEBRA driver [PARALLEL_HERMITIAN_diagonalization]:performing P(Z/C)HEEV
Code: Select all
integer, parameter ::Max_iterations=1000
Daniele Varsano wrote: ↑Mon Aug 31, 2020 7:34 amDear Haseeb,
direct diagonalization of matrixes with 299k dimension is not feasible even using parallel linear algebra, you need to resort to opt for iterative algorithm.
It is possible to obtain the first eigenvectors via iterative methods by using the slepc library, you need to link them (--with-slepc-lib etc..). I do not have much experience with them, but you can check the forum or maybe others with more experience can advise you on that.
Best,
Daniele
This is interesting, but I could not find more info about it in the docs. So, I have some questions.It is possible to obtain the first eigenvectors via iterative methods by using the slepc library
Code: Select all
--enable-slepc-linalg --enable-par-linalg
There is an input variable1: "First eigenvectors"! To be precise, how many first eigenvalues? can we control via some variables in the input file.
Code: Select all
BSSNEig= N
Code: Select all
BSSEnTarget = E [eV]
It is a BSE calculation with the slepc solver2: What should be the run-level for the BSE with slecpc? Or what should be changed in the input file?
Code: Select all
yambo -o b -k sex -y s (-V resp)
Code: Select all
BSSmod="s"
Yes, it is iterative with a default threshold.3: Is the method remains iterative (Haydock)?
Code: Select all
BSSSlepcTol
Code: Select all
BSSSlepcShell