Presence of the SAVE folder for 2nd runs

[ltrombini]

Dear all,

I have a technical question regarding the presence of the files.
I have run an IP-optics calculus for my system, thus having the dipoles. I need, however, to delete the SAVE folder do to its heaviness.
Is it possible to re-run a second calculus on the same system, changing the broadening parameter, keeping only the dipoles ?

With all the best,

Lorenzo

[Daniele Varsano]

Dear Lorenzo,

please sign your posts with your full name and affiliation, this is a rule of the forum, and you can do once for all by filling your signature in the user profile of the forum.

Yambo reads all the database contained in the SAVE directory, plus eventually the directory indicated with the -J option.
If database are present, and they are compatible with parameters in the input file they are read and used, otherwise they are recalculated from scratch. What it is read and written in a single run, it is reported in the report file and indicated with RD and WR respectively.

You can indeed delete files from the SAVE directory, but pay attention to delete ndb.* databases and not the ns.*, otherwise you would need to repeat the p2y step.

Best,

Daniele

[ltrombini]

Dear Daniele,

Thanks for your help.
I was, indeed, looking for the type of files I should keep to be able to rerun YAMBO a second time.

With all the best,

Lorenzo