total magnetization changes
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total magnetization changes
Dear all,
I am working on a magnetic system,I did a MD run and used ibrion2 as well for getting a geometric minimized structure and minimum energy configration.
Problem is when i use istart=0 i get some magnetisation which is near to correct. But when i replace poscar with contcar and give istart = 1, i get almost zero magnetisation for the same system. This is happening for both ibrion=0 and 2
Can someone please tell me is this possible.Am i going wrong somewhere in procedure?
I am working on a magnetic system,I did a MD run and used ibrion2 as well for getting a geometric minimized structure and minimum energy configration.
Problem is when i use istart=0 i get some magnetisation which is near to correct. But when i replace poscar with contcar and give istart = 1, i get almost zero magnetisation for the same system. This is happening for both ibrion=0 and 2
Can someone please tell me is this possible.Am i going wrong somewhere in procedure?
Last edited by M Dave on Wed Oct 30, 2013 3:03 pm, edited 1 time in total.
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- Global Moderator
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Re: total magnetization changes
Hi,
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