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how to set up LDA+U+SOC calculation?
Started by arlonne |
2 Replies
16755 Views |
March 9, 2017, 11:52by Petr Khomyakov |
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VibrationalMode of molecule
Started by kaypu |
1 Replies
26764 Views |
March 9, 2017, 07:47 by Jess Wellendorff |
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5 Replies
44879 Views |
March 9, 2017, 03:41 by zh |
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1 Replies
22737 Views |
March 8, 2017, 13:27 by Jess Wellendorff |
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error in MPSH run
Started by Sabyasachi Sen |
1 Replies
15500 Views |
March 8, 2017, 12:59 by Jess Wellendorff |
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Baboo-shape carbon nanotube
Started by asu |
1 Replies
16871 Views |
March 8, 2017, 12:03 by Jess Wellendorff |
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Calculating Quantum Capacitance
Started by Shan |
3 Replies
39122 Views |
March 8, 2017, 07:53 by Shan |
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pseudopotential-basis set
Started by xiaoteng |
6 Replies
21560 Views |
March 8, 2017, 02:19 by xiaoteng |
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1 Replies
22960 Views |
March 7, 2017, 20:13 by Petr Khomyakov |
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User defined sets
Started by ams_nanolab |
1 Replies
39246 Views |
March 7, 2017, 17:19 by Anders Blom |
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postprocessing analysis
Started by surajmec |
4 Replies
28949 Views |
March 6, 2017, 11:36 by surajmec |
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1 Replies
10849 Views |
March 6, 2017, 09:13 by Petr Khomyakov |
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How to set spin multiplicity in ATK？
Started by kaypu |
1 Replies
12642 Views |
March 3, 2017, 10:13 by zh |
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Processes per saddle search
Started by Dipankar Saha |
6 Replies
19364 Views |
March 2, 2017, 15:29 by Dipankar Saha |
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3 Replies
16818 Views |
March 2, 2017, 10:00 by Petr Khomyakov |
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AKMC or KMC simulations
Started by ramya |
8 Replies
23651 Views |
March 1, 2017, 03:18 by zh |
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Core-Shell nanowire
Started by bfazi |
2 Replies
12160 Views |
March 1, 2017, 00:35 by zh |
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14 Replies
31169 Views |
February 28, 2017, 20:44 by Anders Blom |
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NEB calculation
Started by Cyrille |
5 Replies
18763 Views |
February 28, 2017, 15:08 by Ulrik G. Vej-Hansen |
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regarding the output file .nc
Started by surajmec |
3 Replies
24039 Views |
February 28, 2017, 13:02 by Ulrik G. Vej-Hansen |
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