Dear Wien2k,<br><br> I want to run spin orbit calculations in magnetic case to my system (XY2Z2-type, tetragonal). <br>scf completed successfully. But when i tried to run band i got error. My commands are..<br>
<br>x lapw1 -band -up<br>x lapw1 -band -dn<br>x lapwso -band -up<br>x lapwso -band -dn<br><br>when i entered "x lapwso -band -dn" , I got error like below..<br><br> ERROR IN OPENING UNIT: 9<br> FILENAME: <br>
./4k.vector <br> STATUS: old FORM:unformatted<br>OPEN FAILED<br>0.0u 0.0s 0:00.00 0.0% 0+0k 0+0io 0pf+0w<br><br>After this i run x irrep -so -up<br>
x irrep -so -dn<br> x spaghetti -so -up<br> x spaghetti -so -dn<br><br>remaining commands are running without any error.<br><br>Finally i got the same band structures for both up and down.<br>
<br><br>For another compounds also ( which are same XY2Z2-type, tetragonal) I am getting the same type of error at the same command.<i>.<br><br><br></i>Please give me suggestions..<br><br><br>Thanking you in advance..<br>