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@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 <chibanisaid...@gmail.com
<mailto:chibanisaid...@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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