Using VASP

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simulated annealing and quenching

Last post by admin « Fri Jul 27, 2007 12:24 pm
Replies: 1
by rudra-b » Mon Jul 16, 2007 8:57 am

1 Replies

4609 Views

Last post by admin
Fri Jul 27, 2007 12:24 pm
Is this correct way to determine ferro-magnetism?

Last post by admin « Fri Jul 27, 2007 12:23 pm
Replies: 1
by lahaye » Tue Jul 10, 2007 4:48 am

1 Replies

4401 Views

Last post by admin
Fri Jul 27, 2007 12:23 pm
Use of MAGMOM-tag

Last post by admin « Fri Jul 27, 2007 11:58 am
Replies: 1
by edurgun » Mon Jul 23, 2007 12:43 pm

1 Replies

5137 Views

Last post by admin
Fri Jul 27, 2007 11:58 am
..spontaneous polarization...

Last post by admin « Fri Jul 27, 2007 11:51 am
Replies: 1
by brocks » Mon Jul 23, 2007 7:57 am

1 Replies

4712 Views

Last post by admin
Fri Jul 27, 2007 11:51 am
FFT mesh

Last post by admin « Fri Jul 27, 2007 11:49 am
Replies: 1
by saswata » Fri Jul 20, 2007 10:31 am

1 Replies

4039 Views

Last post by admin
Fri Jul 27, 2007 11:49 am
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

7025 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

3907 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

20098 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

4726 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

4410 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

4751 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

3985 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

4754 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

4153 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

6503 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

4678 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

7350 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

6481 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

3986 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

6516 Views

Last post by Alenushka
Tue Jun 26, 2007 12:57 pm

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