[Wien] (no subject)

[Gavin Abo]

The WIEN2k program needs the case directory and files in it (like 
case.struct) to have the same name [ 
http://zeus.theochem.tuwien.ac.at/pipermail/wien/2007-May/009136.html ].

In your post, it looks like you have the following.

case directory: WIEN2k
file: GaAs.struct

However, it needs to be:

case directory: GaAs
file: GaAs.struct

You also have to be careful, because Linux is case sensitive [ 
http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg05727.html 
].

On 1/19/2016 6:48 AM, said chibani wrote:
> Dear WIEN2K users I'm new in wien2k, when I tried the  the example of 
> GaAS, but it doesn't work
>
> :~/WIEN2k$ ./GaAs.struct
> bash: ./GaAs.struct: Permission denied
> said at said-S:~/WIEN2k$ x nn
>  specify nn-bondlength factor: (usually=2) [and optionally dlimit, 
> dstmax (about 1.d-5, 20)]
> 2
> At line 123 of file nn.f (unit = 20, file = 'WIEN2k.struct')
> Fortran runtime error: End of file
> 0.0u 0.0s 0:01.89 0.0% 0+0k 0+0io 0pf+0w
> error: command   /home/said/Documents/nn nn.def   failed
> I could not solve this problem give me a solution at this problem
>
> 2015-12-23 12:08 GMT+01:00 said chibani <chibanisaid102 at gmail.com 
> <mailto:chibanisaid102 at gmail.com>>:
>
>     - I am running wien2k version 14.2 on a  system  of type ubunto
>     12-04 LTS
>
>     I'm a new user of WIEN2k. I installed WIEN2k in ubuntu 12.04
>
>     I tried the TiC calculation, but it doesn't work.
>     When I click the "x dstart" on the page of "initialize calculation"
>     this is displayed.
>     error: command   /home/said/WIEN2k/dstart dstart.def   failed
>     Then I open "view TiC.outputd and cp TiC.in0_std TiC.in0",
>     and there is
>     System Error
>     Can't read file //home/said/WIEN2k/TiC/TiC.outputd
>     I could not solve this problem by myself. Please help me
>
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