[Wien] Problem_elastic constants calculations

Gavin Abo gsabo at crimson.ua.edu
Tue Sep 18 20:24:28 CEST 2012


Regarding 2, in a terminal:

ls $ELASTT_PATH

In the listing, you should see the executable and fortran file, 
respectively:

...
T_setupc1112
T_setupc1112.f
...

It is likely that T_setupc1112 is missing. If so, you need to recompiled 
with the script "buildTIRelast_lapw" (and adjust settings if needed) 
until it is successfully created.

On 9/18/2012 1:05 AM, Debojyoti Mukherjee wrote:
> Dear Wien users and Dr. Jamal,
>
> I was trying to calculate the elastic constants of tetragonal alpha- 
> Pt2Si using the code developed by Dr. M. Jamal. Unfortunately, in two 
> different computers I got two different problems regarding this.
>
> 1. One computer says:
>
> Too many ('s. when I gave the command  T_calljob_lapw.
>
> 2. Computer 2 says:
>
> T_setupc1112: Command not found.
> chmod: cannot access 'TETRA.job': No such file or directory.....etc 
> when T_set_elast_lapw command was given.
>
>
> Did I make any mistake in compilation of the code. Any help would be 
> very much appreciated.
>
>
> D. Mukherjee
>
>
> -- 
> Scientific Officer - D,
> Applied Physics Division,
> Bhabha Atomic Research Center,
> Mumbai - 400085,
> India.
>
>
>
>
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
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