<DIV> Dear wien users:</DIV>
<DIV> </DIV>
<DIV> In my calculation(no spin) of optic property i encountered a problem as follow:</DIV>
<DIV>i can successfully do optic calculation without spin-orbital coupling,</DIV>
<DIV>but when i take into account spin-orbital coupling the case.symmat file is full of NAN(<FONT color="#cc0033">Not a Number</FONT>) symbol. Who can tell me what's wrong with my calculation?</DIV>
<DIV> </DIV>
<DIV> I did my calculation as follows:</DIV>
<DIV>1. self-consistent calculation</DIV>
<DIV>2. spin-orbital coupling calculation</DIV>
<DIV>3. creat a dense k-point file</DIV>
<DIV>4. change TOT to FERMI in case.in2c</DIV>
<DIV>5. run_lapw -so -e lapw1 -s lcore</DIV>
<DIV>6. x opticc -so</DIV>
<DIV> </DIV>
<DIV> </DIV>
<DIV>Thank you very much for your help!</DIV>
<DIV> </DIV>
<DIV>Line shi</DIV>
<DIV> </DIV>
<DIV> </DIV>
<DIV> </DIV>
<DIV> </DIV>
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