Dear all , <br> I am calculating the SO calculation of a double perovskite compound using wien2k package. I have done the all the steps according to userguide. I had made case.klist_band from xcrysden. I have run <br>
x lapw1 -up -band<br> x lapw1 -dn -band<br>
x lapwso -up -band<br> After last run I am getting the following error <br><br> { ERROR IN OPENING UNIT: 9<br> FILENAME: <br> ./LCMO.vectordn <br>
STATUS: old FORM:unformatted<br>OPEN FAILED<br>0.001u 0.000s 0:00.08 0.0% 0+0k 0+0io 14pf+0w}<br><br>I donot understand what is the difficulty in running if all inputs are correct. Could u please give me any suggestion to overcome the difficulty. Thanks.<br>
Santu Baidya<br> SNBNCBS,JRF<br>
KOLKATA<br>