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does initial_spin work in scf loop?
Started by wot19920302 |
1 Replies
1586 Views |
October 10, 2016, 12:58by Jess Wellendorff |
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2 Replies
2035 Views |
April 11, 2016, 14:52 by wot19920302 |
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10 Replies
6154 Views |
September 2, 2009, 12:00 by zh |
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3 Replies
3474 Views |
April 2, 2009, 02:32 by wring |
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2 Replies
4416 Views |
January 9, 2009, 22:56 by Hasan Sahin |
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Vacuum in nano electrode unitcell
Started by wring |
8 Replies
5832 Views |
March 31, 2011, 14:00 by jiguomin |
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1 Replies
43356 Views |
February 19, 2009, 16:45 by Anders Blom |
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Why the number of electrons is so large
Started by wring |
10 Replies
5234 Views |
October 25, 2011, 22:30 by Anders Blom |
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MPI error: killed by signal 9
Started by wring |
11 Replies
64864 Views |
July 16, 2010, 08:15 by Jahangiri |
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how many magnetic atoms can ATK calculate?
Started by wring |
1 Replies
3338 Views |
February 16, 2009, 10:44 by Anders Blom |
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It's memory's question
Started by wring |
9 Replies
5237 Views |
January 7, 2010, 11:29 by Anders Blom |
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1 Replies
1534 Views |
August 29, 2016, 09:04 by Jess Wellendorff |
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1 Replies
1733 Views |
August 28, 2017, 10:06 by Petr Khomyakov |
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1 Replies
2758 Views |
March 27, 2009, 08:09 by Nordland |
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about restart from a previous calculation
Started by xhsh |
1 Replies
1976 Views |
September 27, 2010, 01:30 by zh |
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5 Replies
3856 Views |
September 12, 2013, 23:56 by Anders Blom |
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1 Replies
2942 Views |
March 18, 2009, 08:52 by Nordland |
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Spin polarized calculation
Started by xhsh |
3 Replies
3247 Views |
April 2, 2010, 07:42 by Nordland |
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About transmission eigenstates
Started by xhsh |
4 Replies
3127 Views |
May 14, 2016, 20:15 by xhsh |
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3 Replies
2534 Views |
September 16, 2010, 08:39 by Nordland |
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