hi all,
When I use dmol3 to calculated the properties on orbitals, I found the number of "above/below the Fermi Level" only can be set less than 14. In the input file, it was shown " Plot fermi 14". If I added the value, the job will failed due to " too many plot asked" . While in old Edition, such as 4.0, there is no such limitation.
I am wondering if there is method to increase the number of the molecular orbitals can be plotted here ?
Any suggestions should be appreciated.
Thanks
zeozhou