Using VASP

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Ce 4f U=5 and intermetallic bonding with Rh

Last post by rgc « Thu Jul 28, 2011 3:21 pm
Replies: 1
by Sonny » Thu Jul 14, 2011 7:07 am

1 Replies

1440 Views

Last post by rgc
Thu Jul 28, 2011 3:21 pm
How to do Accurate spin polarized DOS calculation?

Last post by vasp_fan « Wed Jul 27, 2011 11:28 am
Replies: 1
by bikash » Tue Jul 19, 2011 7:59 pm

1 Replies

4248 Views

Last post by vasp_fan
Wed Jul 27, 2011 11:28 am
Unit Density of States

Last post by tlchan « Tue Jul 26, 2011 4:30 pm
Replies: 6
by hpaudel » Sun Jul 17, 2011 9:37 pm

6 Replies

4187 Views

Last post by tlchan
Tue Jul 26, 2011 4:30 pm
Negative and positive charge density isosurface mix up?

Last post by kzhuo3 « Tue Jul 26, 2011 12:06 pm
Replies: 2
by kzhuo3 » Fri Jul 15, 2011 11:18 am

2 Replies

3024 Views

Last post by kzhuo3
Tue Jul 26, 2011 12:06 pm
How to consider a charge ordering?

Last post by odkhuu « Tue Jul 26, 2011 10:04 am
Replies: 7
by odkhuu » Sun Jul 17, 2011 6:19 am

7 Replies

4127 Views

Last post by odkhuu
Tue Jul 26, 2011 10:04 am
RMSD from VASP output

Last post by s9811016 « Sun Jul 24, 2011 12:02 am
Replies: 1
by Dr Vitaly V. G. Chaban » Mon Jul 18, 2011 11:15 pm

1 Replies

1570 Views

Last post by s9811016
Sun Jul 24, 2011 12:02 am
formation energy of N in ZnO

Last post by superyoyo « Fri Jul 22, 2011 5:57 am
Replies: 2
by mila880227 » Thu Jul 14, 2011 4:29 am

2 Replies

1757 Views

Last post by superyoyo
Fri Jul 22, 2011 5:57 am
Atomization energy of small molecules

Last post by jber « Thu Jul 21, 2011 7:15 pm
Replies: 2
by Joan Adler » Wed Jul 20, 2011 2:28 pm

2 Replies

2680 Views

Last post by jber
Thu Jul 21, 2011 7:15 pm
Problem with Spin polarized DOS calculation

Last post by bikash « Thu Jul 21, 2011 5:28 pm
Replies: 2
by bikash » Wed Jul 20, 2011 7:00 pm

2 Replies

1499 Views

Last post by bikash
Thu Jul 21, 2011 5:28 pm
occupation of one-electron states

Last post by liurong19884000 « Wed Jul 20, 2011 6:56 pm
Replies: 2
by simmi » Sun Jul 10, 2011 7:01 am

2 Replies

1632 Views

Last post by liurong19884000
Wed Jul 20, 2011 6:56 pm
Singlet and Triplet states Calculations

Last post by alex « Tue Jul 19, 2011 10:38 pm
Replies: 18
by Neutrino » Sun Jul 10, 2011 2:44 pm
1

2
18 Replies

11927 Views

Last post by alex
Tue Jul 19, 2011 10:38 pm
optimizing lattice vectors

Last post by tlchan « Tue Jul 19, 2011 6:39 am
Replies: 2
by asaf » Mon Jul 18, 2011 12:00 pm

2 Replies

1693 Views

Last post by tlchan
Tue Jul 19, 2011 6:39 am
Interface between wannier90 and vasp

Last post by tlchan « Tue Jul 19, 2011 6:35 am
Replies: 1
by yyrwater » Sun Jul 17, 2011 7:42 pm

1 Replies

1919 Views

Last post by tlchan
Tue Jul 19, 2011 6:35 am
PBE0 calculation

Last post by alex « Sun Jul 17, 2011 12:03 pm
Replies: 1
by emily.t » Fri Jul 15, 2011 10:22 pm

1 Replies

1301 Views

Last post by alex
Sun Jul 17, 2011 12:03 pm
excess electron

Last post by Danny « Tue Jul 12, 2011 12:30 pm
Replies: 3
by phtobias » Sat Jul 02, 2011 4:03 pm

3 Replies

1985 Views

Last post by Danny
Tue Jul 12, 2011 12:30 pm
need help with HSE and GW band gap calculations

Last post by panda « Mon Jul 11, 2011 6:33 pm
Replies: 2
by panda » Fri Jul 08, 2011 10:47 pm

2 Replies

5270 Views

Last post by panda
Mon Jul 11, 2011 6:33 pm
spin spiral in linear chains

Last post by tanveer « Mon Jul 11, 2011 4:52 pm
Replies: 1
by tanveer » Mon Jul 11, 2011 4:43 pm

1 Replies

2633 Views

Last post by tanveer
Mon Jul 11, 2011 4:52 pm
Error in GW of Aluminum

Last post by Vahid Askarpour « Sun Jul 10, 2011 3:22 pm
Replies: 3
by Vahid Askarpour » Tue Jul 05, 2011 9:08 pm

3 Replies

1977 Views

Last post by Vahid Askarpour
Sun Jul 10, 2011 3:22 pm
convergence problem

Last post by forsdan « Sat Jul 09, 2011 3:34 am
Replies: 1
by asaf » Tue Jul 05, 2011 4:36 pm

1 Replies

1714 Views

Last post by forsdan
Sat Jul 09, 2011 3:34 am
Relaxtion of Specific Ions using VASP

Last post by alex « Fri Jul 08, 2011 11:04 am
Replies: 9
by jlbettis » Wed Jul 06, 2011 5:43 am

9 Replies

3173 Views

Last post by alex
Fri Jul 08, 2011 11:04 am

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