[Wien] IRELAST issue

Indranil mal indranil.mal at gmail.com
Sat Jul 6 00:39:49 CEST 2019


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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