[Wien] After SO band structure calculation error

santu baidya santubaidya2009 at gmail.com
Wed Nov 3 08:06:24 CET 2010


Dear all ,
                    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

                                    x lapw1 -up -band
                                    x lapw1 -dn -band
                                    x lapwso -up -band
 After last run I am getting the following error

   { ERROR IN OPENING UNIT:           9
           FILENAME:
 ./LCMO.vectordn

    STATUS: old          FORM:unformatted
OPEN FAILED
0.001u 0.000s 0:00.08 0.0%      0+0k 0+0io 14pf+0w}

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.

Santu Baidya

SNBNCBS,JRF

KOLKATA
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