Dear all,
When I used mmaps to do CE, I met a problem that it does not give me the gs.out and gs_connect files as the crange.in is specified. Is that only my problem or that others also met before?
Thanks for your reply!
Thanks for your reply. But, I did not set any constrain to mmaps, just used mmaps -d.
Did mmaps still successfully generate structures? It may be that you have set some "impossible" stoichiometry by mistake in the crange.in file. This has happened to me a few times… In that case, there will be no calculations in the range of allowed "ground states" and so nothing to put in the gs.out.
The crange.in contains the constraints…
may be they are too strict?