[Wien] Error in elastic calculations

[Gavin Abo]

As given in the post at [1] for that error, that old WIEN2k version 
might have a buggy initIR_lapw in your SRC_IRelast/script-elastic 
directory that needs removed or moved so that it can instead use the 
working one under $WIENROOT.  An alternative solution would be to use 
the latest WIEN2k version (currently 24.1) in which that was fixed.

[1] 
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg18815.html

Kind Regards,
Gavin
WIEN2k user

On 5/1/2025 12:51 AM, evren görkem özdemir wrote:
> Dear Wien Family Hello,
> After the hard disk on my computer crashed, I wanted to perform 
> elastic calculations after performing my ground state calculations in 
> Wien2k.19.1 before the update I installed on my new hard disk. I 
> performed ground state calculations. Afterwards, I encountered the 
> following error in my elastic calculations. Although I have given the 
> necessary permissions in the SCR_IRelast file, this problem persists. 
> Can you help me with this issue?
>
> /home/ego/Desktop/Wien2k/SRC_IRelast/script-elastic/x: Command not found.
> n stop error n
> clmextrapol_lapw did not extrapolate new density because of missing TEST
> hup: Command not found.
> head: cannot open 'TEST_GGA.inm' for reading: No such file or directory
> head: cannot open 'TEST_GGA.inm' for reading: No such file or directory
> no TEST_GGA.clmsum(_old) file found, which is necessary for lapw0 !
> grep: No match.
> grep: No match.
> grep: No match.
> grep: No match.
>
> stop error
>
> Best regards.
> Gorkem.