[Wien] HELP ME!!
my_peak01
my_peak01 at 163.com
Mon Feb 16 13:08:45 CET 2004
Dear wien users:
I'm a new wien user.When i run initial_lapw,I have a problem in the step of dstart.The problem is:
'ROTDEF'-no symmetry operation found
'ROTDEF'-for jatom index 1 3
'ROTDEF'-atomposition of jatom 0.8319000 0.6681000 0.3319000
'ROTDEF'-atomposition of index 0.3319000 0.8319000 0.6681000
I don't know how to solove it. Help me!
Best regards!
Sincerely yours:Y F Duan
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