[CP2K-user] Lagrange Multipliers Units

Alejandro Ramos ar26... at gmail.com
Mon May 20 15:32:39 UTC 2019


Hello All, 

I'm performing a constrained simulation where I fix the distance between 2 
atoms. Now, what are the units used in the Lagrange multipliers output 
file? Should I expect Eh/a0 or Eh/A? 

Best regards,

Alejandro.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20190520/8bb39e9b/attachment.htm>


More information about the CP2K-user mailing list