Re: [SIESTA-L] single input to perform several tasks

very useful, thanks --- On Sun, 5/3/09, Marcos Verissimo Alves wrote: > From: Marcos Verissimo Alves > Subject: Re: [SIESTA-L] single input to perform several tasks > To: SIESTA-L@listserv.uam.es > Date: Sunday, May 3, 2009, 3:36 PM > Not really, but you can make a bash script to do this (fin

Re: [SIESTA-L] single input to perform several tasks

Not really, but you can make a bash script to do this (find an example attached after he end of the explanation). What this script does is: 1) Creates three files to be included for the three different siesta runs, with the appropriate parameters for each calculation. 2) Creates three fdf files t