[Wien] IRELAST issue

[Indranil mal]

The solution is given by the author of IRELAST ( Morteza Jamal  )  "Please
move (not copy) initIR_lapw from SRC_IRelast/script-elastic to WIEN2k
directory and then run it again."
Now it is working fine.


On Sat, Jul 6, 2019 at 4:09 AM Indranil mal <indranil.mal at gmail.com> wrote:

> Dear sir and users,
>                       I am trying to calculate the pressure dependent
> elastic constant by following the instruction given in the user guide using
> IRELAST in my pc with WIEN2K 18 version.
> Unfortunately I am getting the following error while calling the
> ./CUBIC.job after setting up the lapw
>
> #
>  next is nn
> /home/dps/WIENDPS/SRC_IRelast/script-elastic/x: Command not found.
>  \n stop error \n
> clmextrapol_lapw did not extrapolate new density because of missing
> test.rsp
> head: cannot open 'test.inm' for reading: No such file or directory
> head: cannot open 'test.inm' for reading: No such file or directory
> no test.clmsum(_old) file found, which is necessary for lapw0 !
> grep: *scf1*: No such file or directory
> grep: lapw2*.error: No such file or directory
>
> >   stop error
> -----------------------------------------------------
>
> ERROR status in Styp1_-2.0
>
> -----------------------------------------------------
> *******************************
> Styp3_-2.0
> *******************************
>
> I have tried with the given structure in the example MgO in the
> SRC_IRelast folder the same error I am getting.
> please help
>
>
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