Search found 2 matches

by koput
30 May 2016, 17:49
Forum: Bug reports
Topic: [SOLVED] typos in manual 2016 p. 155 ?
Replies: 1
Views: 14900

[SOLVED] typos in manual 2016 p. 155 ?

Dear authors,

in the lines 2 and 3 from the bottom of page 155, the min number of electrons should be 6 instead of 5 (the GA spaces II and III), in compliance with previous section 20.1 ?

Best,
Jacek
by koput
23 Mar 2016, 13:52
Forum: Running Dalton
Topic: Lucita MXTSOB
Replies: 1
Views: 3393

Lucita MXTSOB

Hi, in the Lucita module, there is a limit of 30 orbitals per space and symmetry - MXTSOB set in lucita/mxpdim.inc to 30. Is it possible to overcome this limit? The comment in the mxpdim file "CSK parameter (MXTSOB = 50)" suggests that it could be enlarged to 50. However, when I naively tried to com...