[Wien] Error while running IRelast - calljob_lapw
AJAY SINGH VERMA
ajay_phy at hotmail.com
Tue Sep 6 10:39:09 CEST 2022
Dear all,
While running elastic constant of cubic TiC, this is the error encountered
root/Wien2k/SRC_IRelast/script-elastic/x: Command not found.
\n stop error \n
clmextrapol_lapw did not extrapolate new density because of missing TiC.rsp
head: cannot open 'TiC.inm' for reading: No such file or directory
head: cannot open 'TiC.inm' for reading: No such file or directory
no TiC.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 Styp3_-2.0
I have tried earlier given solutions (below) but cant remove error.
1. chmod +x *
2.
3. "Please move (not copy) initIR_lapw from SRC_IRelast/script-elastic to WIEN2k
directory and then run it again."
4. giving path in initIR_lapw
Kindly help.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20220906/9a6d2788/attachment.htm>
More information about the Wien
mailing list