Using VASP

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energy drift magnitude in ab initio molecular dynamics

Last post by fra « Sun Jul 24, 2005 2:46 pm

by fra » Sun Jul 24, 2005 2:46 pm

0 Replies

2975 Views

Last post by fra
Sun Jul 24, 2005 2:46 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

2412 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

2361 Views

Last post by graeme
Thu Jul 21, 2005 7:24 am
Plot the charge density using p4vasp and other question

Last post by shmily « Tue Jul 19, 2005 1:37 am

by shmily » Tue Jul 19, 2005 1:37 am

0 Replies

2705 Views

Last post by shmily
Tue Jul 19, 2005 1:37 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

3498 Views

Last post by lazewski
Mon Jul 18, 2005 8:02 am
Plot the charge densuty using p4vasp and other questions

Last post by shmily « Wed Jul 13, 2005 2:36 pm

by shmily » Wed Jul 13, 2005 2:36 pm

0 Replies

2070 Views

Last post by shmily
Wed Jul 13, 2005 2:36 pm
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

3415 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

2348 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

2666 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

1797 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

2604 Views

Last post by aarondesk
Tue Jul 05, 2005 2:31 pm
spin orbit & LDA+U for f-electrons

Last post by windiks « Mon Jul 04, 2005 8:30 pm

by windiks » Mon Jul 04, 2005 8:30 pm

0 Replies

2290 Views

Last post by windiks
Mon Jul 04, 2005 8:30 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

6011 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

3859 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

1602 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

2156 Views

Last post by admin
Wed Jun 29, 2005 1:13 pm
How make POSCAR if atom take a half site

Last post by admin « Fri Jun 24, 2005 12:04 pm
Replies: 1
by wei » Wed Jun 22, 2005 11:01 pm

1 Replies

2232 Views

Last post by admin
Fri Jun 24, 2005 12:04 pm
Why does the program stop?

Last post by admin « Tue Jun 21, 2005 11:57 am
Replies: 1
by MDrizzle » Tue Jun 21, 2005 10:39 am

1 Replies

1949 Views

Last post by admin
Tue Jun 21, 2005 11:57 am
About COOP again !

Last post by admin « Mon Jun 20, 2005 9:35 am
Replies: 1
by shein » Wed Apr 20, 2005 10:53 am

1 Replies

4292 Views

Last post by admin
Mon Jun 20, 2005 9:35 am
Extracting COOP information from a PROOUT file

Last post by biklooost « Fri Jun 17, 2005 9:55 pm

by biklooost » Fri Jun 17, 2005 9:55 pm

0 Replies

2751 Views

Last post by biklooost
Fri Jun 17, 2005 9:55 pm

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