[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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University of California at Berkeley / Phone : (510) 642-2635
Physics Department #7300 / Home Phone : (510) 883-1259
366 Le Conte Hall / Fax : (510) 643-9473
Berkeley, CA 94720 / Email : tangney at civet.berkeley.edu
Home page : http://civet.berkeley.edu/tangney/
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