Using VASP

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new nudged elastic band questions

Last post by graeme « Mon Oct 03, 2005 2:34 pm
Replies: 1
by mhyman » Sun Oct 02, 2005 8:06 pm

1 Replies

7105 Views

Last post by graeme
Mon Oct 03, 2005 2:34 pm
about dipole moment and electronic polarization

Last post by xianghjun « Sun Oct 02, 2005 12:11 pm
Replies: 3
by zj » Wed Jun 15, 2005 9:50 am

3 Replies

14049 Views

Last post by xianghjun
Sun Oct 02, 2005 12:11 pm
Dos of different moleculs

Last post by des « Wed Sep 21, 2005 8:45 pm
Replies: 2
by des » Sun Sep 18, 2005 8:23 pm

2 Replies

7147 Views

Last post by des
Wed Sep 21, 2005 8:45 pm
atomic charge in OUTCAR file

Last post by priya « Wed Sep 21, 2005 7:22 am
Replies: 1
by Gilles » Mon Sep 19, 2005 8:48 am

1 Replies

11176 Views

Last post by priya
Wed Sep 21, 2005 7:22 am
neb of spontaneous reactions

Last post by admin « Fri Sep 16, 2005 12:25 pm
Replies: 4
by mhyman » Sun Aug 14, 2005 2:26 am

4 Replies

9211 Views

Last post by admin
Fri Sep 16, 2005 12:25 pm
what is the meaning of this?

Last post by admin « Fri Sep 16, 2005 12:09 pm
Replies: 2
by konglt » Tue Aug 30, 2005 12:18 pm

2 Replies

8938 Views

Last post by admin
Fri Sep 16, 2005 12:09 pm
when will the NEB calculation coverge?

Last post by admin « Fri Sep 16, 2005 11:30 am
Replies: 8
by whzhang » Thu Jul 21, 2005 2:16 pm

8 Replies

17491 Views

Last post by admin
Fri Sep 16, 2005 11:30 am
interatomic potentials

Last post by konglt « Wed Sep 07, 2005 4:44 pm
Replies: 2
by brsahu » Tue Aug 30, 2005 8:40 pm

2 Replies

8875 Views

Last post by konglt
Wed Sep 07, 2005 4:44 pm
Continuation of Noncollinear jobs

Last post by Veronika « Thu Sep 01, 2005 7:38 am
Replies: 1
by bth20 » Wed Aug 31, 2005 4:37 pm

1 Replies

6948 Views

Last post by Veronika
Thu Sep 01, 2005 7:38 am
how the external pressure is calculated in VASP

Last post by admin « Tue Aug 30, 2005 3:38 pm
Replies: 1
by fra » Tue Aug 23, 2005 11:17 am

1 Replies

9573 Views

Last post by admin
Tue Aug 30, 2005 3:38 pm
Why is the unit cell changing in the output file

Last post by jaburt « Wed Aug 17, 2005 8:41 pm
Replies: 2
by jaburt » Fri Aug 12, 2005 1:56 pm

2 Replies

7503 Views

Last post by jaburt
Wed Aug 17, 2005 8:41 pm
POSCAR file

Last post by admin « Wed Aug 17, 2005 1:12 pm
Replies: 1
by yilmaz » Fri Aug 12, 2005 6:02 pm

1 Replies

7055 Views

Last post by admin
Wed Aug 17, 2005 1:12 pm
About LDIPOL

Last post by konglt « Mon Aug 15, 2005 1:05 pm
Replies: 3
by nujjj » Wed Feb 09, 2005 7:51 pm

3 Replies

10446 Views

Last post by konglt
Mon Aug 15, 2005 1:05 pm
scalar relativistic calculations

Last post by doris « Thu Aug 11, 2005 1:11 pm
Replies: 1
by widom » Mon Jul 18, 2005 6:03 pm

1 Replies

8523 Views

Last post by doris
Thu Aug 11, 2005 1:11 pm
I have a problem about PAW_GGA

Last post by doris « Thu Aug 11, 2005 12:57 pm
Replies: 1
by zzzhong » Fri Jul 22, 2005 5:19 am

1 Replies

7794 Views

Last post by doris
Thu Aug 11, 2005 12:57 pm
Convergence problems with NEB calculations

Last post by Brane « Wed Aug 10, 2005 12:24 pm
Replies: 2
by Kim Do Hwan » Thu Aug 04, 2005 4:24 am

2 Replies

8223 Views

Last post by Brane
Wed Aug 10, 2005 12:24 pm
how to increase NDOS?

Last post by peterklaver « Wed Aug 10, 2005 12:21 pm
Replies: 2
by peterklaver » Tue Aug 09, 2005 12:36 pm

2 Replies

8501 Views

Last post by peterklaver
Wed Aug 10, 2005 12:21 pm
Relaxation along one axis

Last post by admin « Wed Aug 03, 2005 2:52 pm
Replies: 1
by bth20 » Wed Aug 03, 2005 11:20 am

1 Replies

6423 Views

Last post by admin
Wed Aug 03, 2005 2:52 pm
Radius for LORBIT >= 10

Last post by admin « Wed Aug 03, 2005 11:11 am
Replies: 1
by atogo » Tue Jul 26, 2005 12:02 pm

1 Replies

6556 Views

Last post by admin
Wed Aug 03, 2005 11:11 am
big total drift

Last post by scerwin « Wed Jul 27, 2005 3:23 pm
Replies: 3
by lazewski » Fri Jul 08, 2005 8:11 am

3 Replies

12476 Views

Last post by scerwin
Wed Jul 27, 2005 3:23 pm

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