Using VASP

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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

18379 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

18274 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

20297 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

20584 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

15981 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

15278 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

25908 Views

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

Last post by scerwin « Wed Jul 27, 2005 3:07 pm
Replies: 7
by baki » Mon May 23, 2005 7:39 am

7 Replies

64442 Views

Last post by scerwin
Wed Jul 27, 2005 3:07 pm
charged clusters..!!!

Last post by admin « Fri Jul 22, 2005 1:50 pm
Replies: 3
by sujathad » Wed Jul 20, 2005 6:07 am

3 Replies

21903 Views

Last post by admin
Fri Jul 22, 2005 1:50 pm
NEB calculations

Last post by graeme « Thu Jul 21, 2005 7:24 am
Replies: 1
by mhyman » Wed Jul 20, 2005 10:56 pm

1 Replies

16959 Views

Last post by graeme
Thu Jul 21, 2005 7:24 am
RWIGS and Volume of Typ

Last post by lazewski « Mon Jul 18, 2005 8:02 am
Replies: 3
by bruent » Thu Jul 14, 2005 11:24 am

3 Replies

24233 Views

Last post by lazewski
Mon Jul 18, 2005 8:02 am
how to define the DIPOL when doing a berry phase calculation?

Last post by admin « Tue Jul 12, 2005 9:35 am
Replies: 1
by zj » Sat Jul 09, 2005 9:22 am

1 Replies

19126 Views

Last post by admin
Tue Jul 12, 2005 9:35 am
Van der Waals interaction calculation with VASP

Last post by hroSP « Tue Jul 05, 2005 4:42 pm
Replies: 2
by hroSP » Tue Jul 05, 2005 12:37 pm

2 Replies

21177 Views

Last post by hroSP
Tue Jul 05, 2005 4:42 pm
optics with vasp 4.6

Last post by admin « Tue Jul 05, 2005 3:14 pm
Replies: 1
by windiks » Mon Jul 04, 2005 8:11 pm

1 Replies

17840 Views

Last post by admin
Tue Jul 05, 2005 3:14 pm
Transition State Calculations

Last post by admin « Tue Jul 05, 2005 2:34 pm
Replies: 1
by anagaw » Mon Jul 04, 2005 9:30 pm

1 Replies

17769 Views

Last post by admin
Tue Jul 05, 2005 2:34 pm
Geometry Convergence Problems

Last post by aarondesk « Tue Jul 05, 2005 2:31 pm
Replies: 3
by aarondesk » Fri Jul 01, 2005 2:56 pm

3 Replies

23879 Views

Last post by aarondesk
Tue Jul 05, 2005 2:31 pm
Question about Spin Polarized calculations

Last post by graeme « Sat Jul 02, 2005 6:24 am
Replies: 4
by buber » Thu Jun 23, 2005 10:24 pm

4 Replies

32691 Views

Last post by graeme
Sat Jul 02, 2005 6:24 am
Magnetization on each ion

Last post by admin « Fri Jul 01, 2005 2:09 pm
Replies: 1
by bth20 » Fri Jul 01, 2005 10:58 am

1 Replies

20354 Views

Last post by admin
Fri Jul 01, 2005 2:09 pm
Frequency calculation again

Last post by admin « Fri Jul 01, 2005 1:48 pm
Replies: 1
by baki » Fri Jul 01, 2005 7:17 am

1 Replies

17769 Views

Last post by admin
Fri Jul 01, 2005 1:48 pm
About exteral pressure and DOS

Last post by admin « Wed Jun 29, 2005 1:13 pm
Replies: 2
by hehui » Tue Jun 28, 2005 12:59 am

2 Replies

21103 Views

Last post by admin
Wed Jun 29, 2005 1:13 pm

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