Using VASP

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Different results in DOSCAR file when NUPDOWN flag is used

Last post by ledssiul « Thu May 27, 2010 7:08 pm
Replies: 2
by ledssiul » Wed May 26, 2010 9:04 am

2 Replies

4062 Views

Last post by ledssiul
Thu May 27, 2010 7:08 pm
Hydrogen termination of Si(100)

Last post by Danny « Thu May 27, 2010 8:01 am
Replies: 5
by supreme_general » Wed May 26, 2010 8:02 am

5 Replies

6043 Views

Last post by Danny
Thu May 27, 2010 8:01 am
problem in HSE calculation!

Last post by fzcsydl « Wed May 26, 2010 10:59 pm
Replies: 2
by fzcsydl » Tue May 25, 2010 11:00 pm

2 Replies

3854 Views

Last post by fzcsydl
Wed May 26, 2010 10:59 pm
Surface Si(111) Hydrogen terminated + Molecule

Last post by Oscar_rp « Wed May 26, 2010 7:44 pm
Replies: 2
by Oscar_rp » Wed May 26, 2010 9:09 am

2 Replies

3545 Views

Last post by Oscar_rp
Wed May 26, 2010 7:44 pm
negative fermi energy- surface calculations

Last post by forsdan « Wed May 26, 2010 5:22 pm
Replies: 5
by kamala » Fri May 21, 2010 7:45 am

5 Replies

6552 Views

Last post by forsdan
Wed May 26, 2010 5:22 pm
Problems with GaAs bandgap with HSE hybrid functional (VASP 5.2)

Last post by dhfphysics « Wed May 26, 2010 3:20 am
Replies: 1
by Eugene » Mon Jul 27, 2009 7:44 pm

1 Replies

6548 Views

Last post by dhfphysics
Wed May 26, 2010 3:20 am
Magnetic anisotropy energy of bulk Cobalt

Last post by vasp16888 « Tue May 25, 2010 9:24 pm
Replies: 3
by prasen » Mon Mar 15, 2010 6:08 am

3 Replies

5951 Views

Last post by vasp16888
Tue May 25, 2010 9:24 pm
About the calculation of magnetic anistropies energy

Last post by vasp16888 « Tue May 25, 2010 6:32 pm
Replies: 5
by okuno » Fri Oct 17, 2008 1:35 pm

5 Replies

9849 Views

Last post by vasp16888
Tue May 25, 2010 6:32 pm
ISOTOPE CALCULATION

Last post by forsdan « Mon May 24, 2010 2:48 pm
Replies: 1
by Maximus » Mon May 24, 2010 7:33 am

1 Replies

4958 Views

Last post by forsdan
Mon May 24, 2010 2:48 pm
Fermi energy

Last post by phuongvlpt « Sun May 23, 2010 3:42 pm
Replies: 6
by phuongvlpt » Fri May 07, 2010 8:31 am

6 Replies

5283 Views

Last post by phuongvlpt
Sun May 23, 2010 3:42 pm
K-Point Convergence for Surface Slab.

Last post by alex « Sat May 22, 2010 9:42 am
Replies: 1
by Sharani » Fri May 21, 2010 4:02 pm

1 Replies

3544 Views

Last post by alex
Sat May 22, 2010 9:42 am
decomposed charge density

Last post by Danny « Wed May 19, 2010 7:26 am
Replies: 1
by prlogan » Wed May 12, 2010 10:17 pm

1 Replies

3319 Views

Last post by Danny
Wed May 19, 2010 7:26 am
DYNMAT and hessian matrix

Last post by Danny « Wed May 19, 2010 7:12 am
Replies: 8
by Danny » Tue May 04, 2010 1:01 pm

8 Replies

11735 Views

Last post by Danny
Wed May 19, 2010 7:12 am
Please... help.. me

Last post by panda « Mon May 17, 2010 1:35 pm
Replies: 1
by jjkim » Sun May 16, 2010 11:58 pm

1 Replies

2097 Views

Last post by panda
Mon May 17, 2010 1:35 pm
A basic question about unitcell

Last post by jjkim « Sun May 16, 2010 10:39 am
Replies: 2
by jjkim » Sun May 16, 2010 7:32 am

2 Replies

2655 Views

Last post by jjkim
Sun May 16, 2010 10:39 am
Regarding spin-orbit calculation

Last post by jkg001 « Thu May 13, 2010 4:58 pm
Replies: 1
by soumendu » Tue Aug 05, 2008 11:25 am

1 Replies

4089 Views

Last post by jkg001
Thu May 13, 2010 4:58 pm
Total local potential

Last post by apple « Wed May 12, 2010 9:15 pm
Replies: 2
by apple » Wed May 12, 2010 7:48 pm

2 Replies

4770 Views

Last post by apple
Wed May 12, 2010 9:15 pm
Why there is "d" orbital for Carbon atom

Last post by forsdan « Wed May 12, 2010 11:14 am
Replies: 2
by zhuanghl » Mon May 10, 2010 3:14 pm

2 Replies

2844 Views

Last post by forsdan
Wed May 12, 2010 11:14 am
Energy difference

Last post by panda « Fri May 07, 2010 3:39 pm
Replies: 1
by guo,huaihong » Fri May 07, 2010 11:33 am

1 Replies

2410 Views

Last post by panda
Fri May 07, 2010 3:39 pm
Take a look, here are some important parameters which can improve parallelised calculation!

Last post by vasp16888 « Thu May 06, 2010 10:28 pm
Replies: 6
by vasp16888 » Mon May 03, 2010 10:51 pm

6 Replies

5421 Views

Last post by vasp16888
Thu May 06, 2010 10:28 pm

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