Using VASP

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Hf Atomic Calc: electronic structure problems

Last post by grassman « Wed Aug 01, 2007 7:50 pm
Replies: 4
by grassman » Wed Jul 25, 2007 3:04 am

4 Replies

8059 Views

Last post by grassman
Wed Aug 01, 2007 7:50 pm
Natural orbitals or density matrix with vasp?

Last post by alex « Wed Aug 01, 2007 7:15 am
Replies: 2
by alex » Mon Jul 23, 2007 1:30 pm

2 Replies

5307 Views

Last post by alex
Wed Aug 01, 2007 7:15 am
CHGCAR for Energy Interval

Last post by admin « Mon Jul 30, 2007 9:57 am
Replies: 1
by Eugene » Fri Jul 27, 2007 8:32 pm

1 Replies

4245 Views

Last post by admin
Mon Jul 30, 2007 9:57 am
Density of states

Last post by admin « Fri Jul 27, 2007 12:32 pm
Replies: 1
by Tyx » Wed Jul 04, 2007 4:38 pm

1 Replies

4495 Views

Last post by admin
Fri Jul 27, 2007 12:32 pm
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

4981 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

4741 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

5556 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

5064 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

4379 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

7521 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

4220 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

20460 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

5062 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

4793 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

5122 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

4322 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

5181 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

4502 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

6977 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

5090 Views

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

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