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....@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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