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Charge transfer from the charge density
Started by skg |
7 Replies
19377 Views |
May 27, 2014, 12:28by GJK |
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Molecule in Bulk
Started by GJK |
0 Replies
11530 Views |
May 27, 2014, 10:15 by GJK |
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k points for device and bulk of ZGNR
Started by GJK |
1 Replies
11080 Views |
May 26, 2014, 21:26 by Anders Blom |
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4 Replies
15188 Views |
May 23, 2014, 08:42 by Jin-Kyu Choi |
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1 Replies
11316 Views |
May 22, 2014, 23:55 by Anders Blom |
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how many atoms atk can deal with
Started by njuxyh |
13 Replies
31191 Views |
May 22, 2014, 22:36 by njuxyh |
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Affinity of MoS2 and MoS2 passivation
Started by zmisha |
7 Replies
36727 Views |
May 22, 2014, 22:03 by Umberto Martinez |
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1 Replies
15625 Views |
May 22, 2014, 15:29 by Anders Blom |
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1 Replies
14077 Views |
May 22, 2014, 14:40 by Anders Blom |
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Bulk -devicecal-reg
Started by GJK |
11 Replies
27432 Views |
May 22, 2014, 11:21 by Anders Blom |
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Zigzag graphene sheet DOS and bandstructure
Started by Heinz |
1 Replies
13037 Views |
May 21, 2014, 11:39 by Umberto Martinez |
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SiNR geometry optimization
Started by Heinz |
6 Replies
14869 Views |
May 20, 2014, 21:39 by Heinz |
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Band structure
Started by GJK |
1 Replies
10792 Views |
May 19, 2014, 21:08 by Umberto Martinez |
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Formation energy-optimization method -reg
Started by GJK |
5 Replies
14582 Views |
May 19, 2014, 14:33 by GJK |
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BSSE and counterpoise correction-reg
Started by GJK |
2 Replies
10671 Views |
May 19, 2014, 11:13 by GJK |
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Siesta coordinates to import into VNL
Started by Heinz |
1 Replies
9829 Views |
May 19, 2014, 00:13 by Anders Blom |
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2 Replies
32397 Views |
May 18, 2014, 18:21 by njuxyh |
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About the charge option
Started by F. Fuchs |
7 Replies
24346 Views |
May 16, 2014, 00:06 by Anders Blom |
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restart stopped calculation in parallel
Started by Jenny |
1 Replies
13444 Views |
May 15, 2014, 23:39 by Anders Blom |
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16 Replies
38735 Views |
May 15, 2014, 23:38 by Anders Blom |
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