exercises:2016_summer_school:hfx
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exercises:2016_summer_school:hfx [2016/08/23 06:45] – created ibethune | exercises:2016_summer_school:hfx [2016/08/23 06:54] – ibethune | ||
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==== 1st task : GGA restart wfn ==== | ==== 1st task : GGA restart wfn ==== | ||
- | Using the water input from the [[exercises: | + | Using the water input from the [[aimd|previous exercise]], we will perform a single point GGA calculation to generate an initial wavefunction (wfn) restart. HFX calculations benefit from this. |
Change the input to: | Change the input to: | ||
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< | < | ||
- | < | + | < |
Run the input, what's the '' | Run the input, what's the '' |
exercises/2016_summer_school/hfx.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1