Using VASP

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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

2936 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

2221 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

3028 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

2260 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

4058 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

2702 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

3981 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

4248 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

2349 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

3899 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

2775 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

4338 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

2041 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

2669 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

3336 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

2101 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

2302 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

3141 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

3009 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

2128 Views

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

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