Using VASP

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Positive Energy and Hanging on first few electronic steps in supercell

Last post by admin « Mon Dec 02, 2013 4:08 pm
Replies: 4
by wwwennie » Mon Nov 18, 2013 2:20 am

4 Replies

2469 Views

Last post by admin
Mon Dec 02, 2013 4:08 pm
Too Small Band Gap of Silicon (~0.65 eV) Calculated by VASP

Last post by kzhuo3 « Mon Dec 02, 2013 7:28 am
Replies: 1
by wenpengzhu » Sun Dec 01, 2013 10:22 pm

1 Replies

3838 Views

Last post by kzhuo3
Mon Dec 02, 2013 7:28 am
Band structure for a non relaxed cell

Last post by Nice « Thu Nov 28, 2013 3:14 pm
Replies: 1
by Nice » Wed Nov 27, 2013 1:50 pm

1 Replies

978 Views

Last post by Nice
Thu Nov 28, 2013 3:14 pm
KPOINT effect in surface energy calculations

Last post by ccccc « Wed Nov 27, 2013 11:53 pm
Replies: 9
by ccccc » Mon Nov 25, 2013 6:22 pm

9 Replies

5315 Views

Last post by ccccc
Wed Nov 27, 2013 11:53 pm
lattice basis and selective dynamics

Last post by Nice « Wed Nov 27, 2013 5:36 pm
Replies: 2
by rpnabar » Mon Jul 17, 2006 1:53 pm

2 Replies

1797 Views

Last post by Nice
Wed Nov 27, 2013 5:36 pm
BSE calculation

Last post by yunhailiseu « Wed Nov 27, 2013 2:31 pm
Replies: 18
by giacomo giorgi » Sat Feb 16, 2013 7:12 am
1

2
18 Replies

14861 Views

Last post by yunhailiseu
Wed Nov 27, 2013 2:31 pm
Can't reproduce antiferromagnetic behavior

Last post by elhmo « Wed Nov 27, 2013 2:29 pm
Replies: 3
by TLV » Sun Nov 24, 2013 11:00 am

3 Replies

1959 Views

Last post by elhmo
Wed Nov 27, 2013 2:29 pm
format of spin polarized LOCPOT

Last post by elhmo « Wed Nov 27, 2013 2:22 pm
Replies: 1
by alpha » Fri Nov 22, 2013 2:45 am

1 Replies

1346 Views

Last post by elhmo
Wed Nov 27, 2013 2:22 pm
How do I simulate Scanning Tunneling microscope image?

Last post by alizah « Wed Nov 20, 2013 11:17 am
Replies: 3
by vasplover » Wed Oct 31, 2007 7:55 pm

3 Replies

4208 Views

Last post by alizah
Wed Nov 20, 2013 11:17 am
Fluorine INCAR

Last post by alex « Mon Nov 18, 2013 4:56 pm
Replies: 1
by nawwara » Mon Nov 18, 2013 4:10 pm

1 Replies

970 Views

Last post by alex
Mon Nov 18, 2013 4:56 pm
Optical Properties using GW approximation

Last post by giacomo giorgi « Sat Nov 16, 2013 11:54 am
Replies: 1
by hpaudel » Thu Nov 14, 2013 8:16 pm

1 Replies

2096 Views

Last post by giacomo giorgi
Sat Nov 16, 2013 11:54 am
What is this? ERROR ROTDIA

Last post by ccccc « Fri Nov 15, 2013 2:57 pm
Replies: 1
by ccccc » Fri Nov 15, 2013 2:16 pm

1 Replies

1321 Views

Last post by ccccc
Fri Nov 15, 2013 2:57 pm
3k Non-collinear Magnetism - UO2

Last post by alij « Fri Nov 15, 2013 1:24 pm
Replies: 3
by alij » Tue Nov 05, 2013 12:13 pm

3 Replies

1822 Views

Last post by alij
Fri Nov 15, 2013 1:24 pm
Slow convergence HSE - surface calculation

Last post by Tarasingh « Fri Nov 15, 2013 12:48 pm
Replies: 2
by rafael3k » Thu Nov 14, 2013 6:28 pm

2 Replies

2061 Views

Last post by Tarasingh
Fri Nov 15, 2013 12:48 pm
Question on ISYM

Last post by bandri « Wed Nov 13, 2013 8:30 pm
Replies: 2
by bandri » Tue Nov 12, 2013 4:11 pm

2 Replies

1409 Views

Last post by bandri
Wed Nov 13, 2013 8:30 pm
CBM and VBM

Last post by anoop « Wed Nov 13, 2013 10:59 am
Replies: 3
by anoop » Wed Oct 30, 2013 6:51 pm

3 Replies

3420 Views

Last post by anoop
Wed Nov 13, 2013 10:59 am
Bandgap problems of bulk GaAs using G0W0

Last post by giacomo giorgi « Tue Nov 12, 2013 6:21 pm
Replies: 1
by Ken-Ming Lin » Thu Nov 07, 2013 5:07 am

1 Replies

1500 Views

Last post by giacomo giorgi
Tue Nov 12, 2013 6:21 pm
ISIF tag

Last post by admin « Tue Nov 12, 2013 12:02 pm
Replies: 1
by thomasd » Mon Nov 11, 2013 11:03 pm

1 Replies

1220 Views

Last post by admin
Tue Nov 12, 2013 12:02 pm
K points outside the Irreducible Brillouin Zones

Last post by jyli « Thu Nov 07, 2013 6:29 am
Replies: 3
by jyli » Thu Nov 07, 2013 12:41 am

3 Replies

1641 Views

Last post by jyli
Thu Nov 07, 2013 6:29 am
Convergence Problem using VASP 5.2

Last post by hpaudel « Thu Nov 07, 2013 12:51 am
Replies: 3
by hpaudel » Tue Oct 08, 2013 12:18 am

3 Replies

2387 Views

Last post by hpaudel
Thu Nov 07, 2013 12:51 am

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