[Wien] Problem with aim.def

[Gavin Abo]

If $ is the bash terminal.

It seems like you might have just did (while in the case directory):

$ aim

However, if you see the WIEN2k 14.2 usersguide on page 134 in section 
"8.1.1 Execution" [ 
http://www.wien2k.at/reg_user/textbooks/usersguide.pdf ].  The command 
needs to be:

$ x aim

or

Real: $ aim aim.def
Complex: $ aimc aim.def

"x aim" should automatically create aim.def. Since you manually created 
aim.def, I assume that you are using "aim[c] aim.def".  So check if the 
name of the file in the directory (aim.def) and command (aim aim.def) 
are consistent.  In Linux, case sensitivity can be important. For 
example, aim.def (with lowercase letters) and AIM.DEF (with uppercase 
letters) are considered different.

On 9/18/2015 11:25 AM, Bruno Landeros wrote:
> Dear users:
>
> I'm having trouble when I try to run the aim module.
>
> I have already created the aim.def file which looks like this
>
> 5 ,'hpn_final_converged.inaim', 'old',    'formatted',0
> 6 ,'hpn_final_converged.outputaim', 'unknown','formatted',0
> 8 ,'hpn_final_converged.struct',    'old',  'formatted',0
> 9 ,'hpn_final_converged.clmsum',    'old',  'formatted',0
> 21,'hpn_final_converged.surf', 'unknown','formatted',0
> 22,'hpn_final_converged.crit', 'unknown','formatted',0
> 77,'hpn_final_converged.aim_surface_errors', 'unknown','formatted',0
>
> But when I execute the program I get always the same error:
>
>
>
>      ERROR IN OPENING AIM.DEF !!!
>
> AIM.DEF
>
>
> The three files needed hpn_final_converged.struct, 
> hpn_final_converged.clmsum and hpn_final_converged.inaim are present.
> For the last one I'm using the same as the manual's example:
>
> CRIT
> 1
> ALL
> 3 3 3
> END
>
> What can possibly be wrong?
>
>
> Thanks in advance,
>
> Bruno L
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