[Wien] (no subject)

[said chibani]

thank you for the solution  but there is another problem
when he optimize I lanch this point -10  -5  0  5  10  in example Tic
 S.vns -> ./S_vol_-10.0_default.vns
   S.vnsup -> ./S_vol_-10.0_default.vnsup
   S.vnsdn -> ./S_vol_-10.0_default.vnsdn
   S.r2v -> ./S_vol_-10.0_default.r2v
   S.r2vdn -> ./S_vol_-10.0_default.r2vdn

broyden files deleted, clm*, dmat*, vorb*, vresp*, eece*, vsp*, vns*, scf,
struct and input files saved under ./S_vol_-10.0_default

running dstart in single mode
STOP DSTART ENDS
3.3u 0.0s 0:03.40 99.7% 0+0k 0+392io 0pf+0w
0.0u 0.0s 0:00.05 100.0% 0+0k 0+352io 0pf+0w
clmextrapol_lapw has generated a new S.clmsum
hup: Command not found.
STOP  LAPW0 END
STOP  LAPW1 END
STOP  LAPW2 END
STOP  CORE  END
At line 1015 of file mixer.F (unit = 22, file = 'S.scf')
Fortran runtime error: Sequential READ or WRITE not allowed after EOF
marker, possibly use REWIND or BACKSPACE

>   stop error
ERROR status in S_vol__-5.0


2016-01-20 2:00 GMT+01:00 Gavin Abo <gsabo at crimson.ua.edu>:

> 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>:
>
>> - 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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