In data 02 agosto 2009 alle ore 10:31:45, yaldaa kh <yaldachem at gmail.com> ha scritto: > How can I write an input file for average.x code in order to calculation > of workfunction?
I recond that average.x is not documented properly, although if you open its source file you find this brief explanation: !----------------------------------------------------------------------- PROGRAM average !----------------------------------------------------------------------- ! ! This program calculates planar and macroscopic averages ! of a quantity defined on a 3D-FFT mesh. ! The planar average is done on FFT mesh planes. ! It reads the quantity to average, or several quantities, from ! one or several files and adds them with the given weights. ! It computes the planar average of the resulting quantity ! averaging on planes defined by the FFT mesh points and by one ! direction perpendicular to the planes. ! The planar average can be interpolated on a ! 1D-mesh with an arbitrary number of points. ! Finally, it computes the macroscopic average. The size ! of the averaging window is given as input. ! ! It receive as input the following variables: ! ! nfile ! the number of 3D-FFT files ! for each file: ! filename ! the name of the 3D-FFT file ! weight ! the weight of the quantity in this file ! . ! . ! end ! npt ! the number of points of the thick mesh ! idir ! 1,2 or 3. It is the fixed index which defines ! ! the planes of the planar average ! awin ! the size of the window for macroscopic averages. cheers -- Lorenzo Paulatto SISSA & DEMOCRITOS (Trieste) phone: +39 040 3787 511 skype: paulatz www: http://people.sissa.it/~paulatto/ *** save italian brains *** http://saveitalianbrains.wordpress.com/
