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N1024
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gamma_point
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dft_inputs
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Be_snapshot10.pw.scf.in
46.6 kB
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Be_snapshot11.pw.scf.in
46.6 kB
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Be_snapshot12.pw.scf.in
46.6 kB
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Be_snapshot13.pw.scf.in
46.6 kB
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Be_snapshot14.pw.scf.in
46.6 kB
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Be_snapshot15.pw.scf.in
46.6 kB
-
Be_snapshot16.pw.scf.in
46.6 kB
-
Be_snapshot17.pw.scf.in
46.6 kB
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Be_snapshot18.pw.scf.in
46.6 kB
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Be_snapshot19.pw.scf.in
46.6 kB
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dft_outputs
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Be1024_298K_snapshot10.out
741.2 kB
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Be1024_298K_snapshot11.out
741.6 kB
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Be1024_298K_snapshot12.out
741.9 kB
-
Be1024_298K_snapshot13.out
741.6 kB
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Be1024_298K_snapshot14.out
742.0 kB
-
Be1024_298K_snapshot15.out
743.7 kB
-
Be1024_298K_snapshot16.out
741.2 kB
-
Be1024_298K_snapshot17.out
744.5 kB
-
Be1024_298K_snapshot18.out
742.3 kB
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Be1024_298K_snapshot19.out
741.2 kB
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fingerprints
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ldos
-
snapshots
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Be128_snapshot0.xyz
9.2 kB
-
Be128_snapshot11.xyz
9.2 kB
-
Be128_snapshot12.xyz
9.2 kB
-
Be128_snapshot13.xyz
9.2 kB
-
Be128_snapshot14.xyz
9.2 kB
-
Be128_snapshot15.xyz
9.2 kB
-
Be128_snapshot16.xyz
9.2 kB
-
Be128_snapshot17.xyz
9.2 kB
-
Be128_snapshot18.xyz
9.2 kB
-
Be128_snapshot19.xyz
9.2 kB
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md_inputs
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INCAR
270 Bytes
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KPOINTS
38 Bytes
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POSCAR
263.6 kB
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md_outputs
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Be1024_298.traj
272.2 MB
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Be1024_298_temps.npy
44.1 kB
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total_energy_convergence
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dft_inputs
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Be_snapshot0.pw.scf.in
46.6 kB
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Be_snapshot1.pw.scf.in
46.6 kB
-
Be_snapshot2.pw.scf.in
46.6 kB
-
Be_snapshot3.pw.scf.in
46.6 kB
-
Be_snapshot4.pw.scf.in
46.6 kB
-
Be_snapshot5.pw.scf.in
46.6 kB
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Be_snapshot6.pw.scf.in
46.6 kB
-
Be_snapshot7.pw.scf.in
46.6 kB
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Be_snapshot8.pw.scf.in
46.6 kB
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Be_snapshot9.pw.scf.in
46.6 kB
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dft_outputs
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Be1024_298K_snapshot0.out
1.3 MB
-
Be1024_298K_snapshot1.out
1.3 MB
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Be1024_298K_snapshot2.out
1.3 MB
-
Be1024_298K_snapshot3.out
1.3 MB
-
Be1024_298K_snapshot4.out
1.3 MB
-
Be1024_298K_snapshot5.out
1.3 MB
-
Be1024_298K_snapshot6.out
1.3 MB
-
Be1024_298K_snapshot7.out
1.3 MB
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Be1024_298K_snapshot8.out
1.3 MB
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Be1024_298K_snapshot9.out
1.3 MB
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fingerprints
-
ldos
-
snapshots
-
Be128_snapshot0.xyz
9.2 kB
-
Be128_snapshot1.xyz
9.2 kB
-
Be128_snapshot2.xyz
9.2 kB
-
Be128_snapshot3.xyz
9.2 kB
-
Be128_snapshot4.xyz
9.2 kB
-
Be128_snapshot5.xyz
9.2 kB
-
Be128_snapshot6.xyz
9.2 kB
-
Be128_snapshot7.xyz
9.2 kB
-
Be128_snapshot8.xyz
9.2 kB
-
Be128_snapshot9.xyz
9.2 kB