[Pw_forum] Quick question on coordinates

[Nicola Marzari]

> By the way, I'm sure there is a reason why the special axis in quantum 
> espresso is c while the tables love to use axis b. Even if the answer is 
> like, "if crystallographers don't put 2\pi everywere, we don't like their 
> basis sets".


The crystallographic notation in Q-E is derived from the "Spiritual
Exercises" of Saint Ignatius of Loyola - the rationale is that by
forcing the novice to engage in the excruciating repetition
of a mindless task, he/she will ultimately renounce its own ego
and dissolve in the exalted state of acting within the grace.

Now, of course, I'll be sent to hell by the P.owers to be.

				nicola



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