All public logs

Combined display of all available logs of Wiki Max. You can narrow down the view by selecting a log type, the username (case-sensitive), or the affected page (also case-sensitive).

• 11:57, 16 December 2020 Andrea Ferretti talk contribs created page File:Figure alat 20Ry.png
• 11:57, 16 December 2020 Andrea Ferretti talk contribs uploaded File:Figure alat 20Ry.png
• 11:47, 16 December 2020 Andrea Ferretti talk contribs created page Solution LAB1 diamond lattice parameter (Created page with " * Back to the previous page: Structural and electronic properties of semiconductors and metals #Convergences ===Lattice parameter of diamond=== Given the convergence st...")
• 09:30, 16 December 2020 Daniele Varsano talk contribs created page Solution LAB1 Al (Created page with "thumb")
• 09:30, 16 December 2020 Daniele Varsano talk contribs created page File:Al conv.png
• 09:30, 16 December 2020 Daniele Varsano talk contribs uploaded File:Al conv.png
• 09:30, 16 December 2020 Andrea Ferretti talk contribs created page File:Dos diamond.jpg
• 09:30, 16 December 2020 Andrea Ferretti talk contribs uploaded File:Dos diamond.jpg
• 09:01, 16 December 2020 Andrea Ferretti talk contribs created page Getting Started (Created page with " * Back to the previous page: LabQSM#Getting Started ==Getting Started== In order to go through this tutorial you need to have access to a Unix/Linux machine, where you...")
• 08:19, 16 December 2020 Daniele Varsano talk contribs created page File:Unnamed-4.jpg
• 08:19, 16 December 2020 Daniele Varsano talk contribs uploaded File:Unnamed-4.jpg
• 08:19, 16 December 2020 Daniele Varsano talk contribs created page File:Unnamed-3.jpg
• 08:19, 16 December 2020 Daniele Varsano talk contribs uploaded File:Unnamed-3.jpg
• 07:37, 16 December 2020 Andrea Ferretti talk contribs created page Solution LAB1 bands DOS diamond (Created page with " * Back to the previous page: Structural and electronic properties of semiconductors and metals #Convergences === Band structure and DOS of Diamond ===")
• 05:38, 16 December 2020 Andrea Ferretti talk contribs created page File:Si band structure.png (Silicon band structure. Originals from [https://www.tf.uni-kiel.de/matwis/amat/td_kin_ii/index.html Thermodynamics and Kinetics II, Dr. J. Carstensen, Univ. Kiel)
• 05:38, 16 December 2020 Andrea Ferretti talk contribs uploaded File:Si band structure.png (Silicon band structure. Originals from [https://www.tf.uni-kiel.de/matwis/amat/td_kin_ii/index.html Thermodynamics and Kinetics II, Dr. J. Carstensen, Univ. Kiel)
• 05:29, 16 December 2020 Andrea Ferretti talk contribs created page Non self-consistent calculations: Band structures and Density Of States (Created page with " Prev: LabQSM#Lecture 1: Basic DFT calculations and Convergences Next: [[]] ==Non self-consistent calculations: Intro== left |thumb Once the ch...")
• 12:43, 9 December 2020 Daniele Varsano talk contribs created page Solution LAB1 relax (Created page with "Results should look like: # ecut alat [Bohr] 40 6.4186936680 60 6.5707587960 80 6.62670408000 100 6.65135580000 120 6.65855306400")
• 11:31, 9 December 2020 Andrea Ferretti talk contribs created page File:Data etot diffdispl log.jpg (total energy differences vs total energy for displaced structures.)
• 11:31, 9 December 2020 Andrea Ferretti talk contribs uploaded File:Data etot diffdispl log.jpg (total energy differences vs total energy for displaced structures.)
• 11:29, 9 December 2020 Andrea Ferretti talk contribs created page Solution LAB1 ecutwfc convergence 3 (Created page with " * Back to the previous page: Structural and electronic properties of semiconductors and metals #Exercises === Convergence of the total energy differences and forces wrt...")
• 08:36, 9 December 2020 Andrea Ferretti talk contribs created page File:Data etot difflatt log.jpg (total energy differences (different lattices) wrt ecutwfc)
• 08:36, 9 December 2020 Andrea Ferretti talk contribs uploaded File:Data etot difflatt log.jpg (total energy differences (different lattices) wrt ecutwfc)
• 20:15, 8 December 2020 Andrea Ferretti talk contribs created page Solution LAB1 ecutwfc convergence 2 (Created page with " * Back to the previous page: Structural and electronic properties of semiconductors and metals #Exercises === Convergence of total energy differences wrt the kinetic ene...")
• 18:42, 8 December 2020 Andrea Ferretti talk contribs created page File:Data timing.jpg (time vs ecutwfc)
• 18:42, 8 December 2020 Andrea Ferretti talk contribs uploaded File:Data timing.jpg (time vs ecutwfc)
• 18:42, 8 December 2020 Andrea Ferretti talk contribs created page File:Data etot log.jpg (tot vs ecutwfc, log scale)
• 18:42, 8 December 2020 Andrea Ferretti talk contribs uploaded File:Data etot log.jpg (tot vs ecutwfc, log scale)
• 18:42, 8 December 2020 Andrea Ferretti talk contribs created page File:Data etot.jpg (Etot vs ecutwfc)
• 18:42, 8 December 2020 Andrea Ferretti talk contribs uploaded File:Data etot.jpg (Etot vs ecutwfc)
• 18:41, 8 December 2020 Andrea Ferretti talk contribs created page Solution LAB1 ecutwfc convergence (Created page with " * Back to the previous page: Structural and electronic properties of semiconductors and metals #Exercises === Convergence wrt the kinetic energy cutoff === We can start...")
• 16:12, 8 December 2020 Andrea Ferretti talk contribs created page File:Cartoon scf cycle.png (Cartoon of the logical flow of a self-consistent Kohn-Sham DFT calculation. Figure from M. C. Payne, M. P. Teter, D. C. Allan, T. A. Arias, and J. D. Joannopoulos, ''Iterative minimization techniques for ab initio total-energy calculations: molecular dynamics and conjugate gradients'', Rev. Mod. Phys. '''64''', 1045 (1992).)
• 16:12, 8 December 2020 Andrea Ferretti talk contribs uploaded File:Cartoon scf cycle.png (Cartoon of the logical flow of a self-consistent Kohn-Sham DFT calculation. Figure from M. C. Payne, M. P. Teter, D. C. Allan, T. A. Arias, and J. D. Joannopoulos, ''Iterative minimization techniques for ab initio total-energy calculations: molecular dynamics and conjugate gradients'', Rev. Mod. Phys. '''64''', 1045 (1992).)
• 13:31, 2 December 2020 Andrea Ferretti talk contribs deleted page File:Plot conv kpt.jpg (Deleted old revision 20201202133129!Plot_conv_kpt.jpg)
• 13:31, 2 December 2020 Andrea Ferretti talk contribs uploaded a new version of File:Plot conv kpt.jpg
• 13:04, 2 December 2020 Andrea Ferretti talk contribs created page File:Plot conv kpt.jpg (plot for kpt convergence of exercise 1, LAB_1)
• 13:04, 2 December 2020 Andrea Ferretti talk contribs uploaded File:Plot conv kpt.jpg (plot for kpt convergence of exercise 1, LAB_1)
• 12:23, 2 December 2020 Andrea Ferretti talk contribs created page Solution LAB1 kpt convergence (Created page with " === Convergence wrt k-points === A possible script to run multiple scf calculations using <code>pw.x</code> is [https://github.com/max-centre/LabQSM/blob/main/LAB_1/test_d...")
• 11:58, 2 December 2020 Daniele Varsano talk contribs created page File:Diamond scf accuracy.png
• 11:58, 2 December 2020 Daniele Varsano talk contribs uploaded File:Diamond scf accuracy.png
• 11:58, 2 December 2020 Daniele Varsano talk contribs created page File:Diamond etot.png
• 11:58, 2 December 2020 Daniele Varsano talk contribs uploaded File:Diamond etot.png
• 11:11, 1 December 2020 Daniele Varsano talk contribs deleted page File:PastedImage0-2.png (Deleted old revision 20201201111119!PastedImage0-2.png)
• 11:11, 1 December 2020 Daniele Varsano talk contribs uploaded a new version of File:PastedImage0-2.png
• 11:01, 1 December 2020 Daniele Varsano talk contribs created page File:PastedImage0-2.png
• 11:01, 1 December 2020 Daniele Varsano talk contribs uploaded File:PastedImage0-2.png
• 11:00, 1 December 2020 Daniele Varsano talk contribs created page File:PastedImage0.png
• 11:00, 1 December 2020 Daniele Varsano talk contribs uploaded File:PastedImage0.png
• 10:57, 1 December 2020 Daniele Varsano talk contribs created page Structural and electronic properties of semiconductors and metals (Created page with " ==Structural and electronic properties of Diamond ==")
• 10:02, 1 December 2020 Daniele Varsano talk contribs moved page Solution 4 1 to Solution 0 4 1