Thank you for your response. My question is in bulk system one only needs to calculate one unit cell of the infinite periodic system. For nanostructure containing 100 atoms how the super cell or a unit cell can be designed?
On Wed, Dec 2, 2015 at 7:52 PM, Mahya Zare <[email protected]> wrote: > [image: Boxbe] <https://www.boxbe.com/overview> This message is eligible > for Automatic Cleanup! ([email protected]) Add cleanup rule > <https://www.boxbe.com/popup?url=https%3A%2F%2Fwww.boxbe.com%2Fcleanup%3Ftoken%3D8Ly1UZ1lRjgaEbKNoMZdYMfCZRC8c9c2bRK%252FMIYDgVSPNrfxB5lWXg2LQpAvbPWiPcYLHbblI9y%252Fkp8%252BDeccGIULmDsntGlMBZV24xEozfrwYTSluOxBwO%252FZN84LzNybFB0xVBtXk6bbJG%252Fo%252BhNGvQ%253D%253D%26key%3DlERYM%252FPzlCF8ngq%252BkDm0668XJXuA7gz3AnMhtftt3M4%253D&tc_serial=23512081452&tc_rand=1685305003&utm_source=stf&utm_medium=email&utm_campaign=ANNO_CLEANUP_ADD&utm_content=001> > | More info > <http://blog.boxbe.com/general/boxbe-automatic-cleanup?tc_serial=23512081452&tc_rand=1685305003&utm_source=stf&utm_medium=email&utm_campaign=ANNO_CLEANUP_ADD&utm_content=001> > > using VNL > > On 12/1/15, Menberu Woldemariam <[email protected]> wrote: > > Hi, dear members, > > > > I need information or worked example about how to design input parameters > > for nano semiconductor systems such as silicon quantum dot or quantum > > wires of electronic structure calculation using Quantum Espresso Package. > > > > Thank you very much for your time, > > Menberu > > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum > >
_______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
