I believe that you can find detailed description here http://www.quantum-espresso.org/input-syntax/INPUT_PW.html -------------------------------------------------- Duy Le PhD Student Department of Physics University of Central Florida.
"Men don't need hand to do things" On Sat, Jan 1, 2011 at 4:26 AM, Abolore Musari <abmus007 at gmail.com> wrote: > Dear QE User, > I need help concerning the atomic positions to compute the band structure of > materials am working on. Pls take Sio2 in the examples file as an example. > pls i need u to explain in details how the atomic positions of the elements > of sio2 are gotten so that I can apply the same method to get mine. Pls? I > really need a detailed explanation > Thanks and happy new year to all > > Abolore Abdulganiy > Dept of physics > University of ibadan, Nigeria > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > >
