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General Questions and Answers / Atk performance !
« on: April 11, 2016, 10:02 »
Hello everyone !
I did some calculations with Atomistic toolkit and Quantum espresso and i noticed the huge difference if terms of time and complexity. Im wondering what is the deep reason behind this, physically meaning ?
I did the same calculations which requires a huge vacuum ( molecule configuration ) with the same approximation for both codes .
thank you a lot ..
I did some calculations with Atomistic toolkit and Quantum espresso and i noticed the huge difference if terms of time and complexity. Im wondering what is the deep reason behind this, physically meaning ?
I did the same calculations which requires a huge vacuum ( molecule configuration ) with the same approximation for both codes .
thank you a lot ..