Hi I have the same problem when using atom pseudopotential generator. That is because my system does not understand the script in ae.sh and pg.sh (maybe I am linux newbie). So I decide to do it manually. First, you move to your working directory containing your pseudopotentials input cd /.../../yourworkingdirectory then export PATH=$PATH:/.../.../atom and rename the input to INP (for example Br.inp to INP) cp Br.inp INP finally just type atm Now look in your working directory you have to have a lot of files. you will find VPSFMT and VPSOUT. You can either change them to Br.psf or Br.vps, respectively. Best, Sau Nguyen University of Houston
--- On Thu, 23/9/10, [email protected] <[email protected]> wrote: From: [email protected] <[email protected]> Subject: [SIESTA-L] i have a problem with atom pseudo generator To: [email protected] Date: Thursday, 23 September, 2010, 3:36 dear all: i have succefully installed and tested siesta3.rc2 on my pc computer, however, when i have tried to generate a pseudopotential using atom program ( after compilation of atom program) without any change in ae.sh , pg.sh files ( defaults installation) in the /Tutorial/Utils directory an error message appear: my siesta code was installed in /home/ directory. the used command was: $/home/siesta/Pseudo/atom/Tutorial/Utils/pg.sh /home/siesta/Pseudo/atom/Tutorial/Utils/PS_Generation/O/O.tm2.inp the next message appear: cp: cannot stat'..//home/siesta/Pseudo/atom/Tutorial/Utils/PS_Generation/O/O.tm2.inp':No such file or directory /home/siesta/Pseudo/atom/Tutorial/Utils/pg.sh:line 32:/../../../../atm: no such file or directory cp: cannot stat'VPSOUT': no such file or directory cp: cannot stat'VPSFMT': no such file or directory ... .. so , please if any one have a soluation for this problem best regards
