[Wien] eigenvectors storage

pascal boulet pascal.boulet at univ-amu.fr
Mon Aug 27 11:13:47 CEST 2012


Dear all,

We are doing quite big SCF calculations that involve the storage of
large files that contain eigenvectors. But we only need the electronic
bands.

We would like to know if the eigenvector files are used from one scf
step to the next or if the vectors are stored in memory. If they are
stored in memory, is it possible to "tell" the program not to dump the
eigenvectors on the disk?

Thank you in advance,
Best regards
Pascal





-- 
Pascal Boulet, PhD, computational chemist
Aix-Marseille Université 
Laboratoire MADIREL
Avenue Normandie-Niemen
13397 Marseille Cedex 20
France
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Tel. (+33) (0)413.55.18.10
Fax. (+33) (0)413.55.18.50
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pascal.boulet at univ-amu.fr
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https://sites.google.com/a/univ-provence.fr/pb-comput-chem
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