TDDFT calculations using GPAW ================================== TDDFT calculations are performed usin GPAW inplemented in LITESOPH. Results for Na8 Chain using GUI for GPAW Engine -------------------------------------------------- For the molecular system Na8 chain, the following results are obtained using LITESOPH-GUI. Spectrum Analysis ^^^^^^^^^^^^^^^^^ The Oscillator strength (/eV) with Energy (eV) is shown bellow: .. image:: ./Spec-Na8-gpaw.png :width: 600 :alt: GPAW Transition Contribution Map (TCM) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ It can be visualized the photoabsorption decomposition as a TCM. The photoabsorption TCM of Na8 at 1.00 eV is shown bellow: .. image:: ./TCM-Na8-gpaw.png :width: 600 :alt: GPAW Population Evolution ^^^^^^^^^^^^^^^^^^^^ The change in population with time for Na8 chain is shown bellow: .. image:: ./popu-time-Na8-gpaw.png :width: 600 :alt: GPAW