Using VASP

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simulation carbon nanotube

Last post by relaxation « Mon Jul 23, 2007 1:13 pm
Replies: 2
by mywai520 » Tue Aug 15, 2006 11:04 am

2 Replies

6576 Views

Last post by relaxation
Mon Jul 23, 2007 1:13 pm
Characterization of state

Last post by admin « Sat Jul 21, 2007 4:50 pm
Replies: 1
by papoulia » Fri Jul 20, 2007 2:01 am

1 Replies

3571 Views

Last post by admin
Sat Jul 21, 2007 4:50 pm
How to plot the wave function at Gamma

Last post by admin « Sun Jul 15, 2007 7:04 pm
Replies: 1
by baknoo » Mon Jul 09, 2007 2:24 pm

1 Replies

19748 Views

Last post by admin
Sun Jul 15, 2007 7:04 pm
ISIF=4 / cell shape optimization: how to describe?

Last post by admin « Sun Jul 15, 2007 7:03 pm
Replies: 1
by lahaye » Thu Jul 12, 2007 1:58 pm

1 Replies

4369 Views

Last post by admin
Sun Jul 15, 2007 7:03 pm
Question on unit of k-point coordinates

Last post by admin « Sun Jul 15, 2007 7:00 pm
Replies: 1
by opvu » Thu Jul 12, 2007 4:38 pm

1 Replies

4064 Views

Last post by admin
Sun Jul 15, 2007 7:00 pm
how to choose nose mass

Last post by admin « Sun Jul 15, 2007 6:55 pm
Replies: 1
by destine » Mon Jul 09, 2007 2:13 am

1 Replies

4380 Views

Last post by admin
Sun Jul 15, 2007 6:55 pm
How to calculate Z*iab by using Berry phase

Last post by admin « Sun Jul 08, 2007 7:46 pm
Replies: 1
by chorawut » Wed Jul 04, 2007 8:35 am

1 Replies

3620 Views

Last post by admin
Sun Jul 08, 2007 7:46 pm
Projected desity of states??

Last post by admin « Sun Jul 08, 2007 7:45 pm
Replies: 1
by weizz » Tue Jul 03, 2007 12:24 am

1 Replies

4392 Views

Last post by admin
Sun Jul 08, 2007 7:45 pm
band structure

Last post by admin « Sun Jul 08, 2007 7:42 pm
Replies: 1
by vaspfan » Mon Jul 02, 2007 12:44 pm

1 Replies

3790 Views

Last post by admin
Sun Jul 08, 2007 7:42 pm
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

6066 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

4283 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

6684 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

6048 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

3607 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

5941 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

4150 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

6298 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

3376 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

3875 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

4810 Views

Last post by admin
Thu Jun 21, 2007 12:44 pm

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