Search found 2 matches

by particula94
22 May 2017, 04:13
Forum: Running Dalton
Topic: Request to download Dalton 2015 version
Replies: 0
Views: 12118

Request to download Dalton 2015 version

Dear Dalton community, I am wondering if you could give me access to download the Dalton2015 version. I have "memory" problems running NMR constants and I was reading some tips in the Dalton forum related to this problem (see below) and it seem that the Dalton2015 version worked fine. http://daltonp...
by particula94
30 Jun 2015, 18:21
Forum: Running Dalton
Topic: relativistic corrections to NMR shieldings
Replies: 11
Views: 17793

Re: relativistic corrections to NMR shieldings

Hola Rosendo, I had a similar error message running LRESC but for another system. I don't know if you already solved it, but I solved it only adding the keyword " Nosymmetry " in my mol file. ATOMBASIS UF5Cl atomtypes=4 Nosymmetry Charge=92. Atoms=1 Basis=ANO-DK3 7 5 4 2 U 0.000000 0.000000 0.000000...