Dear All
right now, i confront a problem to do the structure optimization for a antiferromagnetic system, austenite. at first, i write a input file according to the tutorial, and an error message comes, it was said that extra input variable should be specified, such as symafm should be -1. however, even i do the correction according to the error message, the same error still exist. i really feel confused and frustrated. is there anyone have same problem before? would you like to share the solution with me? the attached files are input file, output file.
thanks a lot in advance!
error in antiferromagnetic structure optimization
Moderator: bguster
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hisap-nano
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ilukacevic
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Re: error in antiferromagnetic structure optimization
Hi!
Are you positive that all 16 symmetries in your system change the sign of the magnetization, as you set up in your input file? Maybe only some of them are like that and abinit complains if you set up none (1st try) or all (2nd try) of them.
Maybe moderators will have a better clue.
Igor
Are you positive that all 16 symmetries in your system change the sign of the magnetization, as you set up in your input file? Maybe only some of them are like that and abinit complains if you set up none (1st try) or all (2nd try) of them.
Maybe moderators will have a better clue.
Igor
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hisap-nano
- Posts: 9
- Joined: Fri Dec 16, 2011 5:25 am
Re: error in antiferromagnetic structure optimization
Dear Igor
Thank you so much for kind reply,i'm checking the symmetries for the anti-ferromagnetism, maybe i make some mistakes. anyway, thanks again!
Thank you so much for kind reply,i'm checking the symmetries for the anti-ferromagnetism, maybe i make some mistakes. anyway, thanks again!