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- Wed Sep 02, 2015 10:44 am
- Forum: Ground state
- Topic: Structural relaxation with force as a convergence criterion
- Replies: 0
- Views: 1836
Structural relaxation with force as a convergence criterion
Hi guys, I'am a new ABINIT user and have some problem running ABINIT when force "toldff" is used as a convergence criterion. I have a 32 atoms system, 30 nickel and 2 (neighboring) molybdenum atoms. Initially all atoms are placed on the nickel FCC lattice, however I expect that the Mo-Mo c...