Sorry if there is a simple answer but I could not immediately figure out the
issues with setting fft grid size or the actual parameters to set in the input
file
( I think I found n1r and n1rs or something similar in a troubleshooting guide
?but not in user's
guide right away ). The troubleshooting guide said that the program could
override the selection in any case IIRC. Is there a single place this is
documented?
I'm try do dft on about 24 atoms using laptop and the thing runs out of real
memory.
I set diagnolaization to cg which may have solved the immediate problem but
curious
on what other things I can do.
Thanks.
note new address
Mike Marchywka 2295 Collinworth Drive Marietta GA 30062.
