I was however intrigued by this heavy load of the system, with very little CPU use (which means unefficient computation).

Actually, lapw2 routines are still blocked for some I/O most of the time. This I/O is however no longer a physical reading from the hard disk (and so does not show up in the observation of the disk activity, as reported above): these routines spend most of their time reading from the .vector files (known from a strace command), but this must have been cached in the memory, this time. In my case, the .vector files are ~ 9 Gb large.
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