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Groundstate magnetic calculations on Fe

Last post by Jiaye Li « Sat May 10, 2008 6:45 am
Replies: 9
by Jiaye Li » Tue Apr 29, 2008 1:30 am

9 Replies

10158 Views

Last post by Jiaye Li
Sat May 10, 2008 6:45 am
MD

Last post by TAT « Thu May 08, 2008 4:10 pm
Replies: 4
by TAT » Sat Apr 26, 2008 1:09 am

4 Replies

2792 Views

Last post by TAT
Thu May 08, 2008 4:10 pm
Adsorption of a molecule on a surface

Last post by admin « Thu May 08, 2008 12:35 pm
Replies: 1
by ahmed2004 » Wed May 07, 2008 7:29 pm

1 Replies

2385 Views

Last post by admin
Thu May 08, 2008 12:35 pm
Mixing tag

Last post by admin « Mon May 05, 2008 2:37 pm
Replies: 1
by simoneca » Mon May 05, 2008 1:51 pm

1 Replies

1869 Views

Last post by admin
Mon May 05, 2008 2:37 pm
PAW with USPP

Last post by admin « Mon May 05, 2008 1:55 pm
Replies: 1
by cdt9f » Fri May 02, 2008 3:37 pm

1 Replies

2184 Views

Last post by admin
Mon May 05, 2008 1:55 pm
External electric field

Last post by bendix « Fri Apr 25, 2008 5:51 am
Replies: 2
by plesset » Tue Apr 22, 2008 9:16 am

2 Replies

2595 Views

Last post by bendix
Fri Apr 25, 2008 5:51 am
NEB criterion, forces

Last post by admin « Thu Apr 24, 2008 10:37 am
Replies: 1
by neogien » Tue Apr 15, 2008 4:39 am

1 Replies

1820 Views

Last post by admin
Thu Apr 24, 2008 10:37 am
I have a question about NEB.

Last post by admin « Thu Apr 24, 2008 10:14 am
Replies: 1
by matylove » Wed Apr 16, 2008 12:08 am

1 Replies

1648 Views

Last post by admin
Thu Apr 24, 2008 10:14 am
DOS of Lithium p-orbital

Last post by admin « Thu Apr 24, 2008 10:08 am
Replies: 1
by wahyu » Wed Apr 16, 2008 6:48 pm

1 Replies

2049 Views

Last post by admin
Thu Apr 24, 2008 10:08 am
Parrinello-Rahman MD

Last post by admin « Thu Apr 24, 2008 9:23 am
Replies: 1
by TAT » Fri Apr 18, 2008 12:27 am

1 Replies

1955 Views

Last post by admin
Thu Apr 24, 2008 9:23 am
the energy dangle

Last post by admin « Thu Apr 24, 2008 8:34 am
Replies: 3
by linglin » Sun Apr 20, 2008 11:42 am

3 Replies

1987 Views

Last post by admin
Thu Apr 24, 2008 8:34 am
positive total energy

Last post by admin « Thu Apr 24, 2008 8:11 am
Replies: 2
by zsoltrak » Mon Apr 21, 2008 2:33 pm

2 Replies

3061 Views

Last post by admin
Thu Apr 24, 2008 8:11 am
unclear about T*S

Last post by admin « Wed Apr 23, 2008 3:15 pm
Replies: 1
by chenweiguang » Tue Apr 22, 2008 2:10 am

1 Replies

1820 Views

Last post by admin
Wed Apr 23, 2008 3:15 pm
Tetragonal structure optimization

Last post by admin « Wed Apr 23, 2008 2:56 pm
Replies: 1
by vaspman » Tue Apr 22, 2008 5:08 am

1 Replies

2434 Views

Last post by admin
Wed Apr 23, 2008 2:56 pm
magnetic moment is negative

Last post by forsdan « Sun Apr 20, 2008 10:28 am
Replies: 3
by enthusiastic » Tue Apr 15, 2008 4:40 am

3 Replies

3312 Views

Last post by forsdan
Sun Apr 20, 2008 10:28 am
spin polarzie and berry phase calculation can not be performed together?

Last post by admin « Thu Apr 10, 2008 2:09 pm
Replies: 1
by YB » Tue Mar 11, 2008 9:28 am

1 Replies

2767 Views

Last post by admin
Thu Apr 10, 2008 2:09 pm
zero bader charge!

Last post by graeme « Wed Apr 09, 2008 2:33 pm
Replies: 1
by fegg7502 » Wed Apr 09, 2008 6:35 am

1 Replies

2580 Views

Last post by graeme
Wed Apr 09, 2008 2:33 pm
pressure

Last post by admin « Wed Apr 09, 2008 9:27 am
Replies: 1
by TAT » Tue Apr 08, 2008 10:43 pm

1 Replies

2009 Views

Last post by admin
Wed Apr 09, 2008 9:27 am
NEB get a larger diffusion barrier

Last post by graeme « Wed Apr 09, 2008 3:24 am
Replies: 3
by Tiger-paw » Tue Apr 08, 2008 9:24 pm

3 Replies

3366 Views

Last post by graeme
Wed Apr 09, 2008 3:24 am
about quadrupole

Last post by admin « Mon Apr 07, 2008 10:05 am
Replies: 2
by deltz » Fri Apr 04, 2008 11:57 am

2 Replies

1972 Views

Last post by admin
Mon Apr 07, 2008 10:05 am

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