Dear Marty, There is a small problem remaining. When i do as you said, *[yangxu@WimaxServer 20110113-10]$ /opt/siesta-3.0-rc2/bin/optical * * Do you want to include a Drude term?* * This is typically needed for metals* * if yes: enter 1, if no: enter 0* *1* * We need an empirical relaxation time* * Enter the invers in Ha units* * * here,what is the meaning of "Ha units"?Does 'Ha units' means HATREE,ie atomic units,or something else?
BEST WISHES! xiaolin, from ZJU 2011/1/14 lin xiao <[email protected]> > Dear Marty, > I appreciate your explaining.It really helps a lot. > Thx again. > xiaolin, from zju > > 2011/1/14 Marty Blaber <[email protected]> > > Hi Lin Xiao, >> >> At the command line, you must type only: >> >> optical >> >> without the <e2.dat >> the < operator has the effect of pasting the file into the standard >> input stream of the program. This is where you were supposed to type >> in the "1". >> Now, optical will ask the question: >> > Do you want to include a Drude term? >> > This is typically needed for metals >> > if yes: enter 1, if no: enter 0 >> and you may enter 1. >> >> Cheers, >> Marty >> >> >> >> On 12 January 2011 21:52, lin xiao <[email protected]> wrote: >> > Dears, >> > I'm using the optical model of siesta to calculate graphene.Here is a >> > question: >> > [guozhendong@yangxu-433 20110112-2]$ /opt/siesta-3.0-rc2/bin/optical >> > <e2.dat >> > Do you want to include a Drude term? >> > This is typically needed for metals >> > if yes: enter 1, if no: enter 0 >> > [guozhendong@yangxu-433 20110112-2]$ >> > Then whatever i enter,for instance 1 ,the system answer is: >> > 1: Command not found. >> > What should i do if i want to include the Drude term? >> > Thx! >> > >> > >> > >
