ABINIT Discussion Forums

Hi

How one can restart the BSE calculation with two input variables irdbsreso and(or) getbsreso? Do I need to have optdriver also in dataset? More likely yes, so why the process starts over from, from calculation of BSR file again?
What is wrong with this input for the dataset?
Thanks in advance

Cheers,

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optdriver5 99 # BS calculation
getscr5 4
getkss5 3 # Read the KSS generated on the shifted k-mesh.
chksymbreak5 0 # To skip the check on the k-mesh.
shiftk5 0.11 0.21 0.31 # This shift breaks the symmetry of the k-mesh.

#bs_calctype5 1
#soenergy5 0.3 eV
#bs_exchange_term5 1 # Exchange term included.
#bs_coulomb_term5 11
#bs_coupling5 0 # Tamm-Dancoff approximation.

bs_loband5 38
nband5 43
ecuteps5 3.0

bs_freq_mesh5 0 6 0.02 eV # Frequency mesh.

irdbsreso5 -1

bs_algorithm5 2 # Haydock method.
bs_haydock_niter5 600 # Max number of iterations for the Haydock method.
bs_haydock_tol5 0.0001 0 # Tolerance for the iterative method.
zcut5 0.15 eV # complex shift to avoid divergences in the continued fraction.

ecutwfn5 25.0 # Cutoff for the wavefunction.
inclvkb5 2
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