Introduction to the Octopus code - TDDFT.org
Introduction to the Octopus code - TDDFT.org
Introduction to the Octopus code - TDDFT.org
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Oc<strong>to</strong>pus 1<br />
Fortran 95 and C.<br />
Focused on finite systems (periodic systems not mature yet).<br />
Norm-conserving pseudo-potentials.<br />
Real space grid representation.<br />
Features:<br />
Ground state DFT.<br />
<strong>TDDFT</strong><br />
Time propagation:<br />
Linear response and strong fields.<br />
Ehrenfest molecular dynamics.<br />
Casida LR-<strong>TDDFT</strong>.<br />
Sternheimer linear response.<br />
Optimal control <strong>the</strong>ory.<br />
Real-time quantum transport.<br />
1 http://www.tddft.<strong>org</strong>/programs/oc<strong>to</strong>pus<br />
X. Andrade (EHU/UPV) <strong>Introduction</strong> <strong>to</strong> Oc<strong>to</strong>pus Benasque, September 2008 3 / 20
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