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21 October 2024
11:39 | Structure optimization diffhist 0 Schlipf talk contribs (→RMM-DIIS) |
N 11:32 | Category:Crystal momentum diffhist +5,523 Huebsch talk contribs (Created page with "A crystal is characterized by the fact that it obeys translational symmetry. In many calculations, we only consider the primitive crystal unit cell to save computational time. However in a realistic bulk material, interactions go beyond the primitive unit cell. The concept of '''crystal momentum''' is crucial in order to take into account interactions that go beyond the primitive unit cell during the simulation and it is a consequence of translational invariance. Fo...") |
18 October 2024
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11:15 | Structure optimization 4 changes history +161 [Schlipf (4×)] | |||
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11:15 (cur | prev) +19 Schlipf talk contribs (→References) | ||||
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11:13 (cur | prev) 0 Schlipf talk contribs | ||||
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11:13 (cur | prev) +91 Schlipf talk contribs (→References) | ||||
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11:11 (cur | prev) +51 Schlipf talk contribs |
11:14 | Category:Ionic minimization diffhist +28 Schlipf talk contribs (→How to) |