[Wien] Problem with aim.def

[Gavin Abo]

If you initialize and do a calculation in /home/bruno/Wien2k/hpn_final, 
then "save_lapw -d hpn_final_converged", you should not do a calculation 
in the save_lapw subdirectory.

See the WIEN2k usersguide. You can "restore_lapw -d hpn_final_converged" 
and do further calculations in /home/bruno/Wien2k/hpn_final.

On 9/18/2015 5:18 PM, Bruno Landeros wrote:
> Dear Gavin:
>
> I was trying to run inside a subdirectory created by the save_lawp -d 
> option. This subdirectory was 
> /home/bruno/Wien2k/hpn_final/hpn_final_converged.
>
> I tried to run in a previous directory which is 
> /home/bruno/Wien2k/hpn_final and it finally worked. Maybe something 
> was wrong with the full path of the subdirectory.
>
> Thank you very much!
>
> ------------------------------------------------------------------------
> To: wien at zeus.theochem.tuwien.ac.at
> From: gsabo at crimson.ua.edu
> Date: Fri, 18 Sep 2015 16:24:59 -0600
> Subject: Re: [Wien] Problem with aim.def
>
> I do a quick test in a bash ($) terminal and this is what I get:
>
> username at computername:~/Desktop/test$ pwd
> /home/username/Desktop/test <= What is your full path?  If it is long, 
> try shorting it. Is your directory name "hpn_final_converged" or this 
> the name cutoff?
> username at computername:~/Desktop/test$ rm aim.def <= Maybe, remove the 
> aim.def and try again.
> username at computername:~/Desktop/test$ aim
>   ERROR IN OPENING AIM.DEF !!!!
> AIM.DEF
> username at computername:~/Desktop/test$ aim aim.def
>   ERROR IN OPENING AIM.DEF !!!!
> AIM.DEF
> username at computername:~/Desktop/test$ ls -l aim.def
> ls: cannot access aim.def: No such file or directory
> username at computername:~/Desktop/test$ x aim
> 1.0u 0.0s 0:01.02 99.0% 0+0k 0+96io 0pf+0w <= I experience no error 
> here with "x aim".
> username at computername:~/Desktop/test$ ls -l aim.def
> -rw-rw-r-- 1 username username 330 Sep 18 16:04 aim.def <= What are 
> your read permissions for aim.def?
> username at computername:~/Desktop/test$ cat aim.def
> 5 ,'test.inaim', 'old',    'formatted',0
> 6 ,'test.outputaim',   'unknown','formatted',0
> 8 ,'test.struct',    'old',    'formatted',0
> 9 ,'test.clmsum',    'old',    'formatted',0
> 21,'test.surf',       'unknown','formatted',0
> 22,'test.crit',       'unknown','formatted',0
> 77,'test.aim_surface_errors',       'unknown','formatted',0
>
> On 9/18/2015 1:28 PM, Bruno Landeros wrote:
>
>     Dese Gabin:
>
>     I didn't craeate manually the aim.def. First I tried by using
>
>     $ x aim
>
>     Then it was automatically generated but giving the same mistake.
>
>
>     Then I tried:
>
>     $ x aim -d
>
>     To generate the aim.def and then run ir. But the mistake was the
>     same in either case:
>
>        ERROR IN OPENING AIM.DEF
>     AIM.DEF
>
>
>     Thank you for answering! Have you another suggestion of what may
>     be possibly wrong?
>
>     Greetings
>
>     Bruno
>
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