Gallery of new files

This special page shows the last uploaded files.

Metadynamics.png Csheldon
16:05, 30 October 2024
1,191 × 1,121; 69 KB
Idm single image.png Csheldon
08:05, 18 October 2024
845 × 692; 86 KB
IDM.png Csheldon
08:05, 18 October 2024
3,920 × 767; 290 KB
IRC.png Csheldon
08:04, 18 October 2024
2,940 × 1,182; 450 KB
TIMEEV bulk Si dielectric function py4vasp.png Pmelo
16:06, 17 October 2024
793 × 601; 59 KB
TIMEEV bulk Si dielectric function.png Pmelo
14:24, 16 October 2024
1,417 × 944; 85 KB
TIMEEV bulk Si dielectric function.pdf Pmelo
14:18, 16 October 2024
; 27 KB
Structure optimization.png Schlipf
12:45, 15 October 2024
1,435 × 695; 96 KB
NEB.png Csheldon
09:14, 15 October 2024
2,709 × 1,866; 132 KB
Transition state pathway.png Csheldon
08:26, 15 October 2024
1,527 × 1,311; 206 KB
Shape pulay grids.png Csheldon
12:20, 31 July 2024
1,656 × 607; 93 KB
Pulay stress grids.png Csheldon
12:20, 31 July 2024
1,731 × 1,182; 177 KB
Pulay Stress Grids.jpg Csheldon
15:56, 25 July 2024
886 × 624; 92 KB
Pressure energy volume.png Csheldon
09:55, 18 July 2024
812 × 1,136; 134 KB
ENCUT comp.png Csheldon
09:52, 18 July 2024
775 × 554; 59 KB
Kpoint comp.png Csheldon
09:52, 18 July 2024
775 × 554; 60 KB
Sloshing1.png Vaspmaster
11:38, 12 July 2024
6,088 × 1,846; 335 KB
STM Graphite exp sim.png Wolloch
13:54, 13 June 2024
1,150 × 382; 129 KB
Work function.png Schlipf
13:16, 13 June 2024
1,000 × 600; 63 KB
Band.jpg Schlipf
10:35, 13 June 2024
3,000 × 1,688; 817 KB
CRPA of SrVO3.zip Kaltakm
08:56, 13 June 2024
; 262 KB
FMP method convergence.png Jona
12:59, 12 June 2024
640 × 480; 23 KB
SrVO3 GW band.zip Kaltakm
10:50, 12 June 2024
; 530 KB
AlN-phonons-LR-comparison.png Mani
15:03, 23 February 2024
800 × 438; 99 KB
MgO-phonons-LR-comparison.png Mani
15:03, 23 February 2024
800 × 442; 92 KB
Scdm-bands-c-4.png Mani
10:06, 9 February 2024
703 × 275; 47 KB
Locproj-c-4.png Mani
09:57, 9 February 2024
703 × 275; 49 KB
Example neb negative energies.png Svijay
14:30, 8 February 2024
1,200 × 900; 68 KB
Scdm-bands-lif-disentangle.png Mani
13:57, 8 February 2024
384 × 506; 52 KB
Scdm-bands-c-4.pdf Mani
11:07, 8 February 2024
; 32 KB
Pareto Azobenzene.png Karsai
22:16, 7 February 2024
1,280 × 960; 49 KB
Pareto Ethanol.png Karsai
21:56, 7 February 2024
1,280 × 960; 50 KB
HBN exciton.png Tal
15:01, 29 January 2024
1,218 × 870; 367 KB
IrcExample1.png Tbucko
16:03, 30 November 2023
792 × 612; 8 KB
GenerateMLFF.zip Tbucko
15:39, 30 November 2023
; 364 KB
New wiki logo scaled.png Ces
08:02, 29 November 2023
92 × 61; 6 KB
SCC.png Vaspmaster
17:31, 13 November 2023
1,363 × 2,233; 180 KB
Nelect charged systems.png Svijay
09:46, 18 October 2023
2,400 × 750; 120 KB
Workfunction potentials.png Svijay
14:08, 17 October 2023
1,200 × 900; 120 KB
Bandgap.png Schlipf
11:44, 17 October 2023
1,030 × 1,838; 78 KB
Bandgap.pdf Schlipf
11:39, 17 October 2023
; 7 KB
Sketch Pseudopotentials.png Wolloch
10:30, 12 October 2023
450 × 513; 42 KB
Spinor-space-example-saxis.png Huebsch
09:46, 21 September 2023
1,240 × 1,438; 143 KB
Saxis-angles.png Huebsch
09:28, 21 September 2023
1,278 × 1,330; 97 KB
SinglesDiagrams.png Kaltakm
07:24, 21 September 2023
686 × 208; 26 KB
Bias potentials.png Tbucko
11:41, 6 April 2023
792 × 612; 9 KB
Si HSE band.tgz Ftran
12:10, 1 February 2023
; 74 KB
ERR BEEF CTIFOR vs MD step.png Karsai
10:40, 27 July 2022
640 × 480; 9 KB
Bad process binding.png Schlipf
07:55, 26 July 2022
749 × 591; 52 KB
Good process binding.png Schlipf
07:55, 26 July 2022
749 × 591; 66 KB