Using VASP
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Last post by admin
Mon Sep 24, 2018 1:44 pm
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Last post by fabien_tran1
Sun Jun 26, 2022 7:04 am
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Last post by nicholas_dimakis1
Sat Jun 25, 2022 5:59 pm
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NEB calculation IBRION=3 vs individual calculation with IBRION=2
by gu301purdue » Fri Jun 24, 2022 2:10 pm - 3 Replies
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Last post by fabien_tran1
Sat Jun 25, 2022 4:25 pm
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Last post by scanmat_centre
Sat Jun 25, 2022 6:23 am
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"Choosing" between degenerate lower-symmetry relaxed structures
by tsmidt » Mon May 16, 2022 4:03 pm - 1 Replies
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Last post by fabien_tran1
Fri Jun 24, 2022 9:40 pm
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When using VASP with multiple nodes, User time and System time are too long
by Jike.Wang » Fri Jun 24, 2022 2:12 pm - 1 Replies
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Last post by fabien_tran1
Fri Jun 24, 2022 4:05 pm
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Does Vasp 6.3.1 calculates intraband transitions contributions ?
by nicholas_dimakis1 » Fri Jun 24, 2022 3:30 pm - 1 Replies
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Last post by fabien_tran1
Fri Jun 24, 2022 3:57 pm
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Last post by alexey.tal
Fri Jun 24, 2022 2:39 pm
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Last post by gu301purdue
Fri Jun 24, 2022 1:54 pm
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Last post by ferenc_karsai
Fri Jun 24, 2022 12:05 pm
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In MD: Non-zero average forces acting on atoms of system at higher temperature
by alok_shukla1 » Sun May 15, 2022 4:23 am - 3 Replies
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Last post by toms_bucko1
Thu Jun 23, 2022 1:39 pm
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Last post by paulfons
Thu Jun 23, 2022 12:05 pm
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Last post by fabien_tran1
Thu Jun 23, 2022 8:30 am
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Last post by ferenc_karsai
Wed Jun 22, 2022 10:52 am
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Last post by heisen
Wed Jun 22, 2022 9:07 am
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Extracting dielectric properties data from GW and BSE calculations
by nicholas_dimakis1 » Sat Jun 18, 2022 11:05 pm - 1 Replies
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Last post by martin.schlipf
Mon Jun 20, 2022 5:55 am
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How to calculate dielectric function in microwave (GhZ) range
by askhetan » Thu Jun 16, 2022 8:44 am - 1 Replies
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Last post by martin.schlipf
Fri Jun 17, 2022 7:17 am
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Atoms moved out of a supercell during MD calculation by MLFF
by kai_oshiro » Sun Jun 05, 2022 9:32 am - 3 Replies
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Last post by kai_oshiro
Wed Jun 15, 2022 9:01 am
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Settings for the first principles calculation to be performed during MLFF.
by kai_oshiro » Wed May 18, 2022 9:53 am - 5 Replies
- 580 Views
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Last post by kai_oshiro
Wed Jun 15, 2022 8:45 am
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