[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.



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