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rpep | 2 years ago

There are linear scaling DFT codes but they’re not available under open source licensing, only a strange license:

https://onetep.org/

discuss

order

marcosdumay|2 years ago

What the fuck?

Linear scaling DFT is something way more impactful than room-temperature superconductors. What's next? "Hey, I've used my FTL spaceship to verify the material at those friendly alien's library"?

The fact that there has been no Nobel prize and we didn't spend a week around the web arguing "yes, it works!", "no, didn't work for me", "yes, I verified it!" highly implies that the site is trying to say something different than what we are understanding.

tired_and_awake|2 years ago

I'm not intimately familiar with it, just guessing this is some orbital free method that theyve refined. Nothing new, just another approximation that cant model some effects.