Is there some code to read, write and modify WFN files
yao... at gmail.com
Wed Apr 22 14:39:14 CEST 2015
I would like to do a SCF calculation for a system then add some atom
without electron into it. So, the number of basis set is not consistent.
Would you please point out how to read and write WFN file so that I can
make the first SCF WFN file suitable for the latter restart.
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