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 Universit? Laboratoire MADIREL Avenue Normandie-Niemen 13397 Marseille Cedex 20 France ********** Tel. (+33) (0)413.55.18.10 Fax. (+33) (0)413.55.18.50 ********** pascal.boulet at univ-amu.fr ********** https://sites.google.com/a/univ-provence.fr/pb-comput-chem %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%