Using VASP

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How to start MD calculation?

Last post by Jiaye Li « Wed Jul 04, 2007 9:02 am
Replies: 2
by Jiaye Li » Sat Jun 30, 2007 7:11 am

2 Replies

4071 Views

Last post by Jiaye Li
Wed Jul 04, 2007 9:02 am
how can i calculate the formation energy for a doped structure

Last post by alex « Wed Jul 04, 2007 7:08 am
Replies: 1
by magnones » Wed May 30, 2007 5:07 am

1 Replies

2717 Views

Last post by alex
Wed Jul 04, 2007 7:08 am
PAW augmentation radius

Last post by mf081 « Mon Jul 02, 2007 12:50 pm
Replies: 5
by mf081 » Mon Jun 18, 2007 2:45 pm

5 Replies

4006 Views

Last post by mf081
Mon Jul 02, 2007 12:50 pm
ENMAX in POTCAR wrong???

Last post by cpp6f « Mon Jul 02, 2007 12:29 pm
Replies: 2
by cpp6f » Mon Jul 02, 2007 1:54 am

2 Replies

4261 Views

Last post by cpp6f
Mon Jul 02, 2007 12:29 pm
velocities in MD

Last post by admin « Mon Jul 02, 2007 7:16 am
Replies: 1
by Graciani » Fri Jun 29, 2007 10:45 am

1 Replies

2361 Views

Last post by admin
Mon Jul 02, 2007 7:16 am
Charge defects in bulk

Last post by Alenushka « Tue Jun 26, 2007 12:57 pm
Replies: 3
by abu » Fri Jun 22, 2007 8:10 am

3 Replies

3913 Views

Last post by Alenushka
Tue Jun 26, 2007 12:57 pm
the question of structure optimization

Last post by admin « Tue Jun 26, 2007 9:06 am
Replies: 1
by weizz » Mon Jun 25, 2007 12:02 am

1 Replies

2785 Views

Last post by admin
Tue Jun 26, 2007 9:06 am
NELECT and the neutralizing background

Last post by user « Mon Jun 25, 2007 8:20 pm
Replies: 2
by user » Wed May 16, 2007 5:34 pm

2 Replies

4351 Views

Last post by user
Mon Jun 25, 2007 8:20 pm
sticks in MD

Last post by admin « Fri Jun 22, 2007 12:36 pm
Replies: 1
by Vital » Fri Jun 22, 2007 6:37 am

1 Replies

2053 Views

Last post by admin
Fri Jun 22, 2007 12:36 pm
how obtain the Charge density difference??

Last post by admin « Fri Jun 22, 2007 12:32 pm
Replies: 1
by weizz » Fri Jun 22, 2007 2:10 am

1 Replies

2674 Views

Last post by admin
Fri Jun 22, 2007 12:32 pm
about PARCHG with ISPIN=2

Last post by admin « Thu Jun 21, 2007 12:44 pm
Replies: 2
by ccombell » Wed Jun 20, 2007 2:02 pm

2 Replies

3351 Views

Last post by admin
Thu Jun 21, 2007 12:44 pm
Ground-state properties of N, P, As

Last post by admin « Thu Jun 21, 2007 12:00 pm
Replies: 1
by VitOldy » Wed Jun 20, 2007 3:32 pm

1 Replies

2115 Views

Last post by admin
Thu Jun 21, 2007 12:00 pm
Problem with Sm

Last post by mattis « Wed Jun 20, 2007 11:33 am
Replies: 2
by mattis » Tue Jun 19, 2007 1:58 pm

2 Replies

2318 Views

Last post by mattis
Wed Jun 20, 2007 11:33 am
How to use the External electric field in VASP4.6?

Last post by admin « Wed Jun 20, 2007 10:25 am
Replies: 1
by cyc99 » Tue Jun 19, 2007 1:18 pm

1 Replies

3156 Views

Last post by admin
Wed Jun 20, 2007 10:25 am
problems with DOS calculation

Last post by lanjh « Wed Jun 20, 2007 12:26 am
Replies: 4
by lanjh » Mon Jun 18, 2007 12:36 am

4 Replies

3028 Views

Last post by lanjh
Wed Jun 20, 2007 12:26 am
TMPCAR size exceed

Last post by admin « Tue Jun 19, 2007 10:58 am
Replies: 1
by lanjh » Tue Jun 19, 2007 5:18 am

1 Replies

2139 Views

Last post by admin
Tue Jun 19, 2007 10:58 am
Charge Ordering Calculation

Last post by admin « Tue Jun 19, 2007 10:52 am
Replies: 1
by zhichengzhong » Mon Jun 18, 2007 11:17 am

1 Replies

2446 Views

Last post by admin
Tue Jun 19, 2007 10:52 am
problem for a large molecular system

Last post by tlchan « Mon Jun 18, 2007 9:42 pm
Replies: 1
by jjhskang » Sat Jun 16, 2007 1:19 am

1 Replies

2212 Views

Last post by tlchan
Mon Jun 18, 2007 9:42 pm
DENFER

Last post by admin « Fri Jun 15, 2007 12:12 pm
Replies: 1
by rudra-b » Sat Jun 09, 2007 5:22 pm

1 Replies

2298 Views

Last post by admin
Fri Jun 15, 2007 12:12 pm
efield units

Last post by admin « Fri Jun 15, 2007 12:00 pm
Replies: 1
by sys » Wed Jun 13, 2007 11:21 am

1 Replies

2168 Views

Last post by admin
Fri Jun 15, 2007 12:00 pm

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