[Octopus-users] Ground-state calculation of magnetic materials

Motohiko Tanaka mtanaka at nifs.ac.jp
Sat Apr 25 03:33:17 WEST 2009


Dear Micael,

   Thank you for your reply. I have specified the following 
items in inp to do the calculation for antiferromagnet:

 SpinComponents = spinor
 GuessMagnetDensity = user_defined
 %AtomsMagnetDirection
 three components of magnetization vector for atom 1 
   in 3f10.5 format; its unit is mue_b
 the same for atom 2
 ................... 
 the same for atom N
 %

But, I get the following error message:
Error: block "AtomsMagnetDirection" does not contain a double 
in line 0 and col 0

What should be the correct format of the block ?

Best regards,
Motohiko



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