[Pw_forum] stress units

Paul Tangney tangney at civet.berkeley.edu
Fri Feb 6 06:06:55 CET 2004


Dear Pwscf users/developers,

This is a minor point, but one that should probably be fixed at
some stage....

In the output of pwscf the stress is printed out in units
of Ryd/(au^3), but it is stated that it is in atomic units.
I forget about this factor of 2 error from time to time
and run into problems......it just happened again, and this
finally motivated me to point it out.

Best regards,


Paul Tangney







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