Dear Marty, By the way,you said *electron_volts = planck/ ( elec_charge * time )* *= 6.626e-34 / ( 1.606e-19 * t )* *= J s / ( J/eV * s)* *= eV* I think, * electron_volts = (planck/2*pi)/ ( elec_charge * time ) = 1.056e-34 / ( 1.606e-19 * t ) = J s / ( J/eV * s) = eV should be more resonable.
xiaolin,from ZJU * 2011/1/14 lin xiao <[email protected]> > 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! >>> > >>> > >>> >> >> >
