Using VASP

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Slab calculations

Last post by admin « Tue Aug 14, 2007 2:29 pm
Replies: 1
by rajeshc » Tue Aug 14, 2007 5:24 am

1 Replies

3079 Views

Last post by admin
Tue Aug 14, 2007 2:29 pm
IBZKPT & SGRCON

Last post by admin « Tue Aug 14, 2007 2:20 pm
Replies: 1
by TAT » Fri Aug 10, 2007 4:21 am

1 Replies

4913 Views

Last post by admin
Tue Aug 14, 2007 2:20 pm
Fermi energy and Total energy within Dipole correction

Last post by Damien « Thu Aug 09, 2007 1:40 pm
Replies: 1
by Damien » Thu Aug 09, 2007 1:00 pm

1 Replies

2512 Views

Last post by Damien
Thu Aug 09, 2007 1:40 pm
Units of RWIGS

Last post by admin « Wed Aug 08, 2007 10:26 am
Replies: 1
by papoulia » Tue Aug 07, 2007 11:07 am

1 Replies

2271 Views

Last post by admin
Wed Aug 08, 2007 10:26 am
Questions about INCAR tags

Last post by admin « Wed Aug 08, 2007 10:25 am
Replies: 2
by dido » Mon Aug 06, 2007 3:09 pm

2 Replies

2689 Views

Last post by admin
Wed Aug 08, 2007 10:25 am
Negative values in PROCAR output

Last post by admin « Mon Aug 06, 2007 11:22 am
Replies: 1
by papoulia » Sun Aug 05, 2007 7:14 pm

1 Replies

2204 Views

Last post by admin
Mon Aug 06, 2007 11:22 am
Atom in Electric Field

Last post by TAT « Fri Aug 03, 2007 4:00 pm
Replies: 2
by TAT » Thu Aug 02, 2007 7:57 pm

2 Replies

3016 Views

Last post by TAT
Fri Aug 03, 2007 4:00 pm
TOTEN dependence

Last post by admin « Fri Aug 03, 2007 8:54 am
Replies: 1
by TAT » Thu Aug 02, 2007 7:52 pm

1 Replies

2265 Views

Last post by admin
Fri Aug 03, 2007 8:54 am
Need more kpoints for large DOS

Last post by admin « Fri Aug 03, 2007 8:51 am
Replies: 1
by nickjer » Thu Aug 02, 2007 8:06 pm

1 Replies

2611 Views

Last post by admin
Fri Aug 03, 2007 8:51 am
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

4768 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

2911 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

2498 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

2465 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

2936 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

2590 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

3515 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

3033 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

2330 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

5080 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

2289 Views

Last post by admin
Sat Jul 21, 2007 4:50 pm

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