Using VASP

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Phonon Dispersion

Last post by vasp_beginners « Wed Oct 16, 2013 3:59 pm
Replies: 2
by vasp_beginners » Wed Oct 09, 2013 5:38 pm

2 Replies

3262 Views

Last post by vasp_beginners
Wed Oct 16, 2013 3:59 pm
Input file creation

Last post by Yue-Wen Fang « Wed Oct 16, 2013 8:57 am
Replies: 3
by Mohsen » Mon Oct 14, 2013 10:24 pm

3 Replies

3031 Views

Last post by Yue-Wen Fang
Wed Oct 16, 2013 8:57 am
Canonical Ensamble with Nose Thermostat

Last post by martin wa « Tue Oct 08, 2013 2:18 pm
Replies: 9
by giacomo giorgi » Tue Feb 21, 2012 3:56 am

9 Replies

22389 Views

Last post by martin wa
Tue Oct 08, 2013 2:18 pm
Different energies from the same input files with isif=3

Last post by murphy « Mon Oct 07, 2013 4:17 pm
Replies: 5
by felixvasp » Mon Feb 04, 2013 10:44 pm

5 Replies

4350 Views

Last post by murphy
Mon Oct 07, 2013 4:17 pm
surface

Last post by admin « Mon Oct 07, 2013 3:43 pm
Replies: 1
by jyoti » Fri Oct 04, 2013 7:21 am

1 Replies

2152 Views

Last post by admin
Mon Oct 07, 2013 3:43 pm
B3LYP potentials

Last post by admin « Thu Oct 03, 2013 12:42 pm
Replies: 1
by ccccc » Wed Oct 02, 2013 5:28 pm

1 Replies

2039 Views

Last post by admin
Thu Oct 03, 2013 12:42 pm
POTIM=0.2/ "working-node" restarts/ ISIF=2/Selective dynamics mode

Last post by admin « Wed Oct 02, 2013 1:37 pm
Replies: 1
by tilak » Wed Sep 25, 2013 2:29 pm

1 Replies

2275 Views

Last post by admin
Wed Oct 02, 2013 1:37 pm
Nudged Elastic Band for Migration Energy

Last post by admin « Wed Oct 02, 2013 10:13 am
Replies: 1
by thomasd » Tue Oct 01, 2013 9:25 pm

1 Replies

2468 Views

Last post by admin
Wed Oct 02, 2013 10:13 am
Jellium POTCAR

Last post by rjz9 « Mon Sep 30, 2013 9:19 pm
Replies: 2
by camilo » Thu Mar 07, 2013 11:55 pm

2 Replies

3437 Views

Last post by rjz9
Mon Sep 30, 2013 9:19 pm
b3lyp error

Last post by giacomo giorgi « Mon Sep 30, 2013 4:18 am
Replies: 2
by giacomo giorgi » Fri Sep 27, 2013 6:09 am

2 Replies

2923 Views

Last post by giacomo giorgi
Mon Sep 30, 2013 4:18 am
van der Waals correction, problem with GGA=RE INCAR file option

Last post by kelum « Thu Sep 26, 2013 9:22 pm
Replies: 7
by lukasz.rzeznik » Mon Sep 16, 2013 9:03 am

7 Replies

7090 Views

Last post by kelum
Thu Sep 26, 2013 9:22 pm
DOS run fails

Last post by hs-hnu « Thu Sep 26, 2013 11:16 am
Replies: 1
by abmo » Thu Sep 12, 2013 4:17 pm

1 Replies

2559 Views

Last post by hs-hnu
Thu Sep 26, 2013 11:16 am
POSCAR

Last post by hs-hnu « Thu Sep 26, 2013 11:14 am
Replies: 4
by jyoti » Fri Aug 23, 2013 12:52 pm

4 Replies

3192 Views

Last post by hs-hnu
Thu Sep 26, 2013 11:14 am
how does VASP calculate the charge density

Last post by hs-hnu « Thu Sep 26, 2013 11:08 am
Replies: 1
by alpha » Tue Sep 17, 2013 12:55 am

1 Replies

2371 Views

Last post by hs-hnu
Thu Sep 26, 2013 11:08 am
May I regard this as converged? (ZBRENT: fatal error in bracketing)

Last post by murphy « Thu Sep 26, 2013 10:58 am
Replies: 2
by murphy » Sun Jul 28, 2013 5:12 pm

2 Replies

5572 Views

Last post by murphy
Thu Sep 26, 2013 10:58 am
planar-averaged potential in the vacuum region is not a horizontal line

Last post by alex « Tue Sep 24, 2013 11:31 am

by alex » Tue Sep 24, 2013 11:31 am

0 Replies

2068 Views

Last post by alex
Tue Sep 24, 2013 11:31 am
Photoexcited Effects in VASP

Last post by limaojlu « Tue Sep 24, 2013 10:08 am
Replies: 1
by paulfons » Thu Jul 25, 2013 9:31 am

1 Replies

2828 Views

Last post by limaojlu
Tue Sep 24, 2013 10:08 am
How do I calculate ELF (electron localization function)

Last post by lgxyz « Mon Sep 23, 2013 1:59 am
Replies: 2
by Park Sohee » Tue Aug 03, 2010 6:38 am

2 Replies

7532 Views

Last post by lgxyz
Mon Sep 23, 2013 1:59 am
standard representation in Band structure

Last post by admin « Thu Sep 19, 2013 12:04 pm
Replies: 1
by ntuxi » Thu Sep 19, 2013 6:21 am

1 Replies

2142 Views

Last post by admin
Thu Sep 19, 2013 12:04 pm
Large Total Energy Drift in NVT MD Simulation

Last post by anoop « Thu Sep 19, 2013 11:38 am
Replies: 3
by anoop » Sun Sep 15, 2013 1:47 pm

3 Replies

3841 Views

Last post by anoop
Thu Sep 19, 2013 11:38 am

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