> Dear Paulo, I dont understand what u mean by svn version the "current (still not released) version" of QE that you can download by using the command
svn checkout svn://scm.qe-forge.org/scmrepos/svn/q-e/trunk previous installation of the apache "subversion" tool (at least it works in a linux/unix environment) Please do not ask this forum for quick responses. Nobody earns money for this service to the community... HTH Giuseppe On Tuesday 26 July 2011 09:56:33 Abolore Musari wrote: > Dear Paulo, I dont understand what u mean by svn version and also want > to ask that does it mean that l cant use the cell parameters given by > Emine if yes pls can u give me another cell parameters l could use. > pls i would appreciate ur quick response. Thanks Abolore > > On 6/27/11, Paolo Giannozzi <giannozz at democritos.it> wrote: > > On Jun 25, 2011, at 23:39 , Abolore Musari wrote: > >> alpha equal beta equal 90 degree > > > > beta = 90 ... > > > >> beta was gotten from reitveld refinement to be 113.81 > > > > ...or beta = 113.81? > > > >> 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). > > > > the monoclinic (P? ibrav=12?) lattice can be described with > > unique (i.e. orthogonal to a) axis c, b axis at angle gamma /= 90 > > with a; or with unique axis b, c axis at angle beta /= 90 with a. > > QE uses the former description; apparently you have found > > the latter description in the literature, so you have to either > > convert the latter into the former, or write down explicitly the > > crystal axis, or to use the latest svn version that allows for > > the latter description as well (ibrav=-12) > > > > P. > > --- > > Paolo Giannozzi, Dept of Chemistry&Physics&Environment, > > Univ. Udine, via delle Scienze 208, 33100 Udine, Italy > > Phone +39-0432-558216, fax +39-0432-558222 > > > > > > > > > > _______________________________________________ > > Pw_forum mailing list > > Pw_forum at pwscf.org > > http://www.democritos.it/mailman/listinfo/pw_forum > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum -- ******************************************************** - Article premier - Les hommes naissent et demeurent libres et ?gaux en droits. Les distinctions sociales ne peuvent ?tre fond?es que sur l'utilit? commune - Article 2 - Le but de toute association politique est la conservation des droits naturels et imprescriptibles de l'homme. Ces droits sont la libert?, la propri?t?, la s?ret? et la r?sistance ? l'oppression. ******************************************************** ? ?Giuseppe Mattioli ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?CNR - ISTITUTO DI STRUTTURA DELLA MATERIA ? ? ?v. Salaria Km 29,300 - C.P. 10 ? ? ? ? ? ? ? ? ? ?I 00015 - Monterotondo Stazione (RM) ? ? ? ? ? ? ?Tel + 39 06 90672836 - Fax +39 06 90672316 ? ? ? ?E-mail: <giuseppe.mattioli at ism.cnr.it>
