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Geometry optimization not converging
Started by Manish95 |
8 Replies
22337 Views |
February 3, 2019, 21:16by Petr Khomyakov |
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Pseudopotential to use for Cr metal
Started by Manish95 |
1 Replies
11704 Views |
January 30, 2019, 14:21 by Ulrik G. Vej-Hansen |
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Avoiding eggbox effect
Started by NW |
1 Replies
12724 Views |
January 30, 2019, 14:19 by Ulrik G. Vej-Hansen |
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Plane-wave_HSE06
Started by Dipankar Saha |
3 Replies
16960 Views |
January 30, 2019, 12:23 by Dipankar Saha |
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1 Replies
11478 Views |
January 30, 2019, 10:04 by Ulrik G. Vej-Hansen |
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SCF calculation during DOS calculation
Started by Manish95 |
1 Replies
13077 Views |
January 30, 2019, 09:58 by Ulrik G. Vej-Hansen |
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Supercell and unit cell
Started by abhishek77492652 |
1 Replies
16171 Views |
January 30, 2019, 09:11 by Petr Khomyakov |
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4 Replies
16027 Views |
January 30, 2019, 06:51 by Manish95 |
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Spin Density
Started by smaili |
2 Replies
12916 Views |
January 29, 2019, 05:41 by smaili |
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3 Replies
16447 Views |
January 25, 2019, 12:29 by njuxyh |
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3 Replies
16007 Views |
January 25, 2019, 09:07 by Ulrik G. Vej-Hansen |
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Ionic Liquid based 2D FET
Started by Manish95 |
1 Replies
12389 Views |
January 25, 2019, 08:48 by Ulrik G. Vej-Hansen |
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dft_half_parameters
Started by Dipankar Saha |
4 Replies
18141 Views |
January 24, 2019, 10:39 by Dipankar Saha |
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Bulk MoS2 band gap
Started by Manish95 |
4 Replies
21322 Views |
January 21, 2019, 13:09 by Petr Khomyakov |
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how delete information from hdf5 files
Started by berlin |
1 Replies
23981 Views |
January 21, 2019, 09:32 by Daniele Stradi |
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Spin-orbit coupling
Started by dong0216 |
1 Replies
25260 Views |
January 18, 2019, 13:19 by Ulrik G. Vej-Hansen |
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Electron Density
Started by Zaharah |
1 Replies
15773 Views |
January 18, 2019, 13:17 by Ulrik G. Vej-Hansen |
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Most Stable Configuration
Started by Zaharah |
3 Replies
17383 Views |
January 18, 2019, 13:11 by Ulrik G. Vej-Hansen |
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Interface Builder
Started by Dipankar Saha |
4 Replies
17871 Views |
January 17, 2019, 17:03 by Dipankar Saha |
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2 Replies
23424 Views |
January 17, 2019, 06:04 by njuxyh |
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