Dear Siesta List, I'm facing a diagonalisation problem with the siesta code (run in serial mode). My job crashed with the error:
Failure to converge standard eigenproblem
I've tried both with the DivideAndConquer true and false, but neither
option works.
There is no error if i'm using a SZ basis (default EnergyShift and
SplitNorm), but the error is there for a DZ and DZP basis (default
EnergyShift and SplitNorm).
I'm attaching here my input, .out and .XV files.
Any help is really welcome!
Thanks,
Zeila
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Dr. Zeila Zanolli
Université Catholique de Louvain (UCL)
Unité Physico-Chimie et de Physique des Matériaux (PCPM)
Place Croix du Sud, 1 (Boltzmann)
B-1348 Louvain-la-Neuve, Belgium
Phone: +32 (0)10 47 2617
Mobile: +32 (0)487 556699
Fax: +32 (0)10 47 3452
e-mail: zano...@pcpm.ucl.ac.be
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graph3x2z.XV
Description: Binary data
graph.fdf
Description: Binary data
graph.out
Description: Binary data
