[Pw_forum] ibrav and celldm(4)

Abolore Musari abmus007 at gmail.com
Sat Jun 25 23:39:42 CEST 2011


---------- Forwarded message ----------
From: Abolore Musari <abmus007 at gmail.com>
Date: Sat, 25 Jun 2011 16:32:45 -0500
Subject: ibrav and celldm(4)
To: pw-forum at pwscf.org

Dear QE user, l am working on monoclinic system and from textbook
monoclinic system alpha equal beta equal 90 degree and from literature
of my system beta was gotten from reitveld refinement to be 113.81. so
i dont know if my celldm(4) which is equal to cos(ab) should be cos90
or cos113.81 or tell me the appropriate way to get celldm(4)=cos(ab).
i will appreciate ur assistance. abolore dept of phy UNAAB



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