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Gradients only available up to Rn? #111
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Description
Describe the bug
When asking for gradients for atoms beyond Rn the output is NaN.
I wonder if it is a bug.
To Reproduce
Steps to reproduce the behaviour:
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happens with input (include input files): rah2ob.xyz has gradients as NaN
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start
dftd4with (all the options here): dftd4 --func tpssh -c 2 --grad kk rah2ob.xyz -
output showing the error: rah2ob.out
Please provide all input and output file such that we confirm your report.
ra_and_rn.zip
Expected behaviour
A clear and concise description of what you expected to happen.
I expected a result similar to the one in rnh2ob.out
Additional context
If I run dftd4 rah2ob.xyz there is no data for Ra in the "Atomic reference systems (in atomic units):" table.
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