Eigenvectors failed to converge in nwChem 6.8
Click here for full thread
Just Got Here
2:30:04 AM PDT - Fri, Jun 1st 2018
Would maybe anyone else using NWChem 6.8 with Intel Compilers, Intel MPI and MKL be so kind as to test the above input file from the Wiki? I'm curious if this is something specific we are seeing.