Conversion of atomic unit length to angstrom.

doug-101 / ConvertAll-py

a flexible unit converter

http://convertall.bellz.org

39 stars 15 forks source link

Conversion of atomic unit length to angstrom. #12

Open hongyi-zhao opened 4 years ago

hongyi-zhao commented 4 years ago

1 a.u = 0.529177249 angstrom See here, but it seems ConvertAll can't do this conversion. Any hints?

doug-101 commented 4 years ago

The conversion on your link (UnitConverters.net) is wrong.

ConvertAll gives a result of 1 au = 1.496 x 10^21 angstroms, which agrees with other conversions on Google.

You do realize that au is an astronomical unit, the distance from the Earth to the sun. The angstrom is a very small unit for measuring atoms and molecules. There is no way that one au is anywhere near half of an angstrom.

-Doug

hongyi-zhao commented 4 years ago

No, we're discussing different unit systems. I mean atomic unit by a.u. and it can be converted correctly by pint:

$ pint-convert bohr angstrom
1 bohr = 0.529177210904(81) Å
$ pint-convert a_u_length angstrom
1 bohr = 0.529177210904(81) Å