projecting vectors with SODFT

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Forum Regular

6:38:05 AM PDT - Thu, May 24th 2018
Hi, We have not implemented this in the SODFT module. It's on our todo list. Is there a reason you are trying to do this ? Are you having convergence issues with the larger basis ? If you post your complete input file, I can try to help out. Best, -Niri niri.govind@pnnl.gov