Simply type "./mprop -h" in the COOP utility folder of SIESTA. It will give you the manual.
In brief, you need the input files .HSX and .WFSX. You have then have to execute the mprop executable on an .mpr file which structure is described in the manual mentioned above. Example .mpr files are given in the Tests folder... Sincerely, Nicolas 2010/9/27 Gregorio García Moreno <[email protected]> > Hi Nicolas, Hi all > Nicolas I compiled SIESTA3, and I optimized my structures with this > version, and I attached the keyword "COOP.Write True" with the aim to > obtain COOP analysis. Now, I need to analyze the outputs? > Once compiled COOP utility? what files must I analyze? > > Thanks in advance, Gregorio > >
