[Pw_forum] error in relaxation

madhura at jncasr.ac.in madhura at jncasr.ac.in
Fri Mar 21 09:34:41 CET 2008

 Hello all,

 I am using version 3.2 of package to perform surface calculations. While
performing spin-polarized relaxation GGA calculations of the surface after
few no. of ionic iterations I am getting following message
     lsda relaxation :  a final configuration with zero
                        absolute magnetization has been found

     the program is checking if it is really the minimum energy structure
by performing a new scf iteration without any "electronic" history
And the job stops till the run time limit is over, even when restarted, it
gives the same message and nothing happens again till run time gets over.
Is it going in some kind of infinite loop or something?

Can anyone please tell me what does this mean?

Madhura Marathe,
Ph.D. Student,
JNCASR, Bangalore.

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