Using VASP
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Last post by merzuk.kaltak
Mon Aug 23, 2021 9:18 am
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What does 'Absolute Chemical Shift tensors' mean in NMR calculation
by xhbao502 » Tue Nov 24, 2020 1:01 pm - 1 Replies
- 253 Views
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Last post by marie-therese.huebsch
Mon Aug 23, 2021 6:04 am
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- 1 Replies
- 231 Views
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Last post by marie-therese.huebsch
Mon Aug 23, 2021 5:30 am
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- 1 Replies
- 82 Views
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Last post by marie-therese.huebsch
Mon Aug 23, 2021 4:05 am
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- 1 Replies
- 65 Views
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Last post by marie-therese.huebsch
Wed Aug 18, 2021 5:12 am
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- 2 Replies
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Last post by michelsassi
Wed Aug 18, 2021 5:01 am
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- 1 Replies
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Last post by marie-therese.huebsch
Wed Aug 18, 2021 4:48 am
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- 1 Replies
- 54 Views
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Last post by marie-therese.huebsch
Wed Aug 18, 2021 4:29 am
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Last post by marie-therese.huebsch
Mon Aug 16, 2021 4:34 am
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How to adjust the frequency range of dielectric function?
by jun-jie_shi1 » Wed Aug 11, 2021 2:16 am - 1 Replies
- 56 Views
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Last post by marie-therese.huebsch
Thu Aug 12, 2021 4:42 am
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Phonon dispersion from Virtual Crystal Approximation (VCA) Density Functional Theory (DFPT) job
by likith » Fri Jul 30, 2021 1:45 pm - 3 Replies
- 153 Views
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Last post by likith
Tue Aug 10, 2021 5:22 pm
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- 2 Replies
- 148 Views
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Last post by marie-therese.huebsch
Mon Aug 09, 2021 11:47 pm
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Discrepancy between Minimum Energy and 0 Pressure of Amorphous Simulations
by ccrook » Mon Aug 09, 2021 10:28 pm - 1 Replies
- 53 Views
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Last post by marie-therese.huebsch
Mon Aug 09, 2021 11:08 pm
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- 6 Replies
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Last post by marie-therese.huebsch
Mon Aug 09, 2021 2:56 am
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- 1 Replies
- 266 Views
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Last post by marie-therese.huebsch
Sun Aug 08, 2021 11:14 pm
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- 5 Replies
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Last post by marie-therese.huebsch
Sun Aug 08, 2021 10:49 pm
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- 1 Replies
- 56 Views
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Last post by marie-therese.huebsch
Sat Aug 07, 2021 2:47 am
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How to choose values of LDAUU and LDAUJ in DFT+U calculations in VASP?
by rmz4ed » Fri Aug 06, 2021 4:01 pm - 1 Replies
- 74 Views
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Last post by marie-therese.huebsch
Sat Aug 07, 2021 2:06 am
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- 1 Replies
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Last post by marie-therese.huebsch
Fri Aug 06, 2021 12:33 am
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- 7 Replies
- 167 Views
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Last post by henrique_miranda
Thu Aug 05, 2021 8:57 am