Fix 4975 via increased tolerance

[prckent]

Proposed changes

Closes #4975

For the reported supercell, the basis mapping was failing after 10K attempts due to numerical tolerance issues when Intel 2021.1 was used on the old CADES system . Tolerance was increased conservatively. Was unable to reproduce the problem with recent GCC, Clang etc. on other systems. Fix was verified with a generic (vs AVX512) build since I was using different nodes.

I will PR an updated build script when an updated cmake is installed by the admins.

What type(s) of changes does this code introduce?

• Bugfix

Does this introduce a breaking change?

• No

What systems has this change been tested on?

ORNL CADES SHPC Condo. https://docs.cades.ornl.gov/#condos/overview/

Checklist

Update the following with a yes where the items apply. If you're unsure about any of them, don't hesitate to ask. This is
simply a reminder of what we are going to look for before merging your code.

• Yes. This PR is up to date with current the current state of 'develop'
• Yes. Code added or changed in the PR has been clang-formatted
• No. This PR adds tests to cover any new code, or to catch a bug that is being fixed
• NA. Documentation has been added (if appropriate)

[prckent]

Test this please