[sdpd] Reduced Cell?

["XIA Changtai" <cxia...@cec.uchile.cl>]

Dear Prof. Le Bail,

I'm Changtai Xia. I'm working on the week-2 exercises. However, I don't understand "how to reduce a cell". The following is part of the result from Treor90:

*** INPUT CELL ***
A= 12.70238 B= 7.22346 C= 7.26999
ALFA= 90.000 BETA=124.201 GAMMA= 90.000
TOLERANCE= .0500

VOLUME OF INPUT CELL= 551.71 A3

*** REDUCED-CELL ***
A= 7.22346 B= 7.26999 C= 10.50660
ALFA= 90.7092 BETA= 90.0000 GAMMA= 90.0000

VOLUME OF THE REDUCED CELL= 551.71 A3

Moreover, I got a solution to the exercise with a cell by DICVOL91 twice as large as the above input cell.

Could you please explain me how the reduce process works?

OR, Could you tell where can I find materials to study?

Thank you for your instruction!

Sincerely Yours,

XIA Changtai

Universidad de Chile

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