Hi to all, Will any body please guide me how to define %block LatticeVectors ? ? ? ? ? ? ? ? ? %endblock LatticeVectors for primitive tetragonal structure (P4/mmm), as I have defined one atom at 0,0,0 and other at 1/2,1/2,1/2.
Thanks and regards, Nidhi Giacomo Giorgi <[EMAIL PROTECTED]> wrote: Hi Nidhi, you can find most of the info you need at the Bilbao crystallographic server website http://www.cryst.ehu.es/ and also at the WWW-mincryst website http://database.iem.ac.ru/mincryst/ Best, Giacomo On Tue, 8 Apr 2008, Nidhi Sharma wrote: > Hi to all, > > Will anybody please guide me how to define "LatticeConstant, %block > LatticeVectors, %block AtomicCoordinatesAndAtomicSpecies, %block BandLines" > for Body centred tetragonal structure. > > Thanks in advance. > Nidhi > > > --------------------------------- > From Chandigarh to Chennai - find friends all over India. Click here. -- * * * * * * * * * * * * * * * * * * * * * * * * * * Giacomo Giorgi * * Ph.D. * * Dipartimento di Chimica e Istituto di * * Scienze e Tecnologie Molecolari ISTM-CNR * * Universita' degli Studi di Perugia * * Via Elce di Sotto 8 06123 Perugia Italia * * Tel: +39 075-5855618 Fax: +39 075-5855606 * * E-mail: giac_at_thch.unipg.it * * * * * * * * * * * * * * * * * * * * * * * * * * "Oltre le illusioni di Timbuctu' e le gambe lunghe di Babalu' c'era questa strada... Questa strada zitta che vola via come una farfalla, una nostalgia, nostalgia al gusto di curacao... Forse un giorno meglio mi spieghero'..." (Paolo Conte, "Hemingway") Subhra Kulshrestha Project Fellow (UGC), Condensed MatterTheory Group School of Studies in Physics Jiwaji University, GWALIOR - 474011 (M.P.), INDIA between 0000-00-00 and 9999-99-99 <!--10--><hr size=1></hr> From Chandigarh to Chennai - find friends all over India. <a href="http://in.rd.yahoo.com/tagline_groups_10/*http://in.promos.yahoo.com/groups/citygroups/";> Click here.</a>
