unit cell optimization |
- Date: 2009/07/21 06:20
- Name: Philip
- I understand it is not possible to relax the simulation cell in the current version of openMX (that is unless one does it manually, of course). Is that so?
Also, are there any plans on implementing such feature? Relaxing the unit cell can be very important but doing it manually can be very painfull and not very effective.
Thanks.
Phil.
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