Skip to main content
AI Crawler DoS Attacks | Dataverse Creation Restriction – Please note:
  • We are experiencing a coordinated attack by AI training crawler bots, which slow down the service. We are working on mitigating the problem and apologize for any inconveniences.
  • Institutional or project level dataverses have to be created with confirming permissions. See details in guide.
Jülich DATA (Forschungszentrum Jülich GmbH)
Metrics
169,837 Downloads
Contact Share
Featured Dataverses

In order to use this feature you must have at least one published dataverse.

Publish Dataverse

Are you sure you want to publish your dataverse? Once you do so it must remain published.

Publish Dataverse

This dataverse cannot be published because the dataverse it is in has not been published.

Delete Dataverse

Are you sure you want to delete your dataverse? You cannot undelete this dataverse.

Find Advanced Search

371 to 380 of 3,525 Results
LDA-200-444.txt
Plain Text - 1.9 KB - SHA-256: 268a2b760405f3bd118c9a110c7bb314ac56dd791ce06eab4d8cf71fb00cc6a6
Simulation data of the barite unit cell relaxation with Exchange-correlation functional: LDA, Cutoff energy (ecutwfc): 200, k-points: 444
obtuse-high.txt
Plain Text - 7.7 KB - SHA-256: f891274ae221fdb5c2923807a404fa192953302936c348ca6fa38c553fa80d18
Simulation data of the Ba2+-inner-sphere complex configuration at the high position of the obtuse [120] step on the (001) surface with implicit water.
obtuse-low.txt
Plain Text - 7.7 KB - SHA-256: cb9d4f8beccf38312221d876db1c1916370d539b641568d88250b6fa23ecb1f5
Simulation data of the Ba2+-inner-sphere complex configuration at the low position of the obtuse [120] step on the (001) surface with implicit water.
pbe-200-444.txt
Plain Text - 1.9 KB - SHA-256: 2dcd7eccf463ae86f9ccaa96172ff8299e665d3df0c5bd89dfa637f61b58b4cf
Simulation data of the barite unit cell relaxation with Exchange-correlation functional: pbe, Cutoff energy (ecutwfc): 200, k-points: 444
pbe-50-334.txt
Plain Text - 1.9 KB - SHA-256: 6862fd2873b87f530ed1086a9104d9f1379fed1cd01b5d33cc26b6ea8ac44c7d
Simulation data of the barite unit cell relaxation with Exchange-correlation functional: pbe, Cutoff energy (ecutwfc): 50, k-points: 334
pbesol-100-444.txt
Plain Text - 1.9 KB - SHA-256: fca5c1278dad225be7c99d562b8827fad6274e6b18aaddb278b1d6fe22a0f39f
Simulation data of the barite unit cell relaxation with Exchange-correlation functional: pbesol, Cutoff energy (ecutwfc): 100, k-points: 444
pbesol-200-222.txt
Plain Text - 1.9 KB - SHA-256: 2f252ce2abafbf8e37a9e529844729b2f6bf0f2d43883b7c0cad73bade33023f
Simulation data of the barite unit cell relaxation with Exchange-correlation functional: pbesol, Cutoff energy (ecutwfc): 200, k-points: 222
pbesol-200-333.txt
Plain Text - 1.9 KB - SHA-256: 0cd9fa7ad51dea65d29b2e8fabd6df7ec8fa688aef130ddc05232e453521dd22
Simulation data of the barite unit cell relaxation with Exchange-correlation functional: pbesol, Cutoff energy (ecutwfc): 200, k-points: 333
pbesol-200-444.txt
Plain Text - 1.9 KB - SHA-256: 06861a8fff040c694ea2b5539340dae2dd1b2572210479bed34feaf3f90657ff
Simulation data of the barite unit cell relaxation with Exchange-correlation functional: pbesol, Cutoff energy (ecutwfc): 200, k-points: 444
pbesol-200-666.txt
Plain Text - 1.9 KB - SHA-256: 82918a879e5383b988ea3c498a308dd46c9875277004dcb843513795083fe83f
Simulation data of the barite unit cell relaxation with Exchange-correlation functional: pbesol, Cutoff energy (ecutwfc): 200, k-points: 666
Add Data

Log in to create a dataverse or add a dataset.

Log In
Share Dataverse

Share this dataverse on your favorite social media networks.

Link Dataverse
Reset Modifications

Are you sure you want to reset the selected metadata fields? If you do this, any customizations (hidden, required, optional) you have done will no longer appear.

Contact Jülich DATA Support

Jülich DATA Support

Please fill this out to prove you are not a robot.

+ =