Dear all,

There is an inconsistency in the truncated octahedron entry in table 3.1 of the reference manual (version 2018 and all previous ones I checked). The value indicated for the bc and ab angles is 71.53 degrees, but the vectors a, b and c indicated in the table give the value 70.53 degrees = acos(1/3). The indicated vectors correspond indeed to one of the possible sets of primitive vectors in the body-centered cubic lattice of which the truncated octahedron is the Wigner-Seitz primitive cell (namely the set with origin at a cube corner and pointing to three cube centers), so I belive that the typo is in the angles, not the vectors. Or am I missing something?

Best,
Antonio

--
António M. Baptista
Instituto de Tecnologia Quimica e Biologica, Universidade Nova de Lisboa
Av. da Republica - EAN, 2780-157 Oeiras, Portugal
phone: +351-214469619         email: bapti...@itqb.unl.pt
fax:   +351-214411277         WWW:   http://www.itqb.unl.pt/~baptista
--------------------------------------------------------------------------
-- 
Gromacs Users mailing list

* Please search the archive at 
http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting!

* Can't post? Read http://www.gromacs.org/Support/Mailing_Lists

* For (un)subscribe requests visit
https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a 
mail to gmx-users-requ...@gromacs.org.

Reply via email to