Using VASP

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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

1067 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

2173 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

1404 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

1975 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

2158 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

1499 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

3570 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

1589 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

1332 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

1742 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

2470 Views

Last post by hpaudel
Thu Nov 07, 2013 12:51 am
IBRION=5

Last post by alex « Tue Nov 05, 2013 9:06 am
Replies: 3
by rogerwol » Mon Nov 04, 2013 3:10 pm

3 Replies

1534 Views

Last post by alex
Tue Nov 05, 2013 9:06 am
ionic relaxation: GGA vs. LDA

Last post by stolis « Wed Oct 30, 2013 10:24 pm
Replies: 8
by lahaye » Sun Sep 10, 2006 7:57 am

8 Replies

10159 Views

Last post by stolis
Wed Oct 30, 2013 10:24 pm
when I use the CI-NEB method ,how to set the ISIF?

Last post by admin « Wed Oct 30, 2013 4:56 pm
Replies: 1
by ljzhang123 » Thu Oct 17, 2013 3:19 am

1 Replies

1187 Views

Last post by admin
Wed Oct 30, 2013 4:56 pm
DOS with a strange band

Last post by admin « Wed Oct 30, 2013 10:33 am
Replies: 1
by italop » Sun Oct 20, 2013 7:30 pm

1 Replies

1317 Views

Last post by admin
Wed Oct 30, 2013 10:33 am
spin-polarised density of states

Last post by elhmo « Tue Oct 29, 2013 9:07 am
Replies: 3
by elhmo » Mon Oct 28, 2013 7:16 pm

3 Replies

3348 Views

Last post by elhmo
Tue Oct 29, 2013 9:07 am
improved dimer method and ci-NEB

Last post by vasp_user « Tue Oct 29, 2013 9:03 am
Replies: 1
by askhetan » Wed Sep 11, 2013 6:26 pm

1 Replies

2327 Views

Last post by vasp_user
Tue Oct 29, 2013 9:03 am
Ionic Relaxation With Variable Volume But Fixed Shape

Last post by zj « Fri Oct 25, 2013 4:08 pm
Replies: 2
by DarkSorrow » Fri Sep 06, 2013 12:37 pm

2 Replies

2922 Views

Last post by zj
Fri Oct 25, 2013 4:08 pm
slab calculation with MBJ potential

Last post by zj « Fri Oct 25, 2013 2:34 pm
Replies: 2
by zj » Thu Oct 24, 2013 6:32 pm

2 Replies

2338 Views

Last post by zj
Fri Oct 25, 2013 2:34 pm
more NEB

Last post by vasp_user « Thu Oct 24, 2013 7:24 pm
Replies: 4
by mhyman » Fri Aug 05, 2005 11:48 pm

4 Replies

3012 Views

Last post by vasp_user
Thu Oct 24, 2013 7:24 pm

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