<div dir="ltr"><div id="gmail-:1ql" class="gmail-ii gmail-gt"><div id="gmail-:1t3" class="gmail-a3s gmail-aXjCH"><div dir="ltr"><div>Dear sir and users, <br></div><div>
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. <br></div><div> Unfortunately I am getting the following error while
calling the ./CUBIC.job after setting up the lapw <br></div><div> <br>#<br> next is nn <br>/home/dps/WIENDPS/SRC_IRelast/script-elastic/x: Command not found.<br> \n stop error \n <br>clmextrapol_lapw did not extrapolate new density because of missing test.rsp<br>head: cannot open 'test.inm' for reading: No such file or directory<br>head: cannot open 'test.inm' for reading: No such file or directory<br>no test.clmsum(_old) file found, which is necessary for lapw0 !<br>grep: *scf1*: No such file or directory<br>grep: lapw2*.error: No such file or directory<br><br>> stop error<br>-----------------------------------------------------<br> <br>ERROR status in Styp1_-2.0<br> <br>-----------------------------------------------------<br>*******************************<br>Styp3_-2.0<br>*******************************</div><div><br></div><div>I have tried with the given structure in the example MgO in the SRC_IRelast folder the same error I am getting. <br></div><div>please help <br></div><div class="gmail-adL"><br> </div></div><div class="gmail-adL">
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