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- Fri Jun 11, 2010 3:59 am
- Forum: Ground state
- Topic: ionmov and optcell choice
- Replies: 6
- Views: 5779
Re: ionmov and optcell choice
As you know, the activation energy for ion conductivity can be determined by simulating the oxide ion at a number of intermediate positions along the migration path in the cell. The following code deals with the oxide ion in the interstitial position (oxygen atom is fixed by x in the interstitial p...