Pseudopotential for M06-L
August Melcher
august... at gmail.com
Thu Jun 19 19:24:38 UTC 2014
Thanks! Is there any way to suppress the printing of the PROBLEM error
message? The output files are extremely hard to look at when they're full
of error messages. I tried PRINT_LEVEL SILENT but it didn't work.
The reason I'm doing GAPW calculations is for pseudopotential testing,
comparing water dimer potential energy curves between all electron vs
pseudopotential calculations. Is this still a valid method of testing given
the shortcomings of meta-GGAs in GAPW? I was thinking I could instead
compare with some other published M06-L data or is there a better way to
test pseudopotentials?
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