[Ifeffit] Polarization vector in FEFF calculation

2009-05-15 Thread Yun Luo
Dear All, I have a quick question regarding the polarization vector in FEFF calculation. There is a card of POLARIZATION x y z that we can use to count in polarization effect in FEFF calculation. I just want to make sure that the x, y, z coordinates of the polarization vector is in the crystal

Re: [Ifeffit] Polarization vector in FEFF calculation

2009-05-15 Thread Bruce Ravel
On Friday 15 May 2009 05:32:49 pm Yun Luo wrote: There is a card of POLARIZATION x y z that we can use to count in polarization effect in FEFF calculation. I just want to make sure that the x, y, z coordinates of the polarization vector is in the crystal Cartesian base. For example, if the