Using VASP

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LSDA+U: diagonal elements of the density matrix are larger than 1.0

Last post by support_vasp « Wed Sep 11, 2024 1:44 pm
Replies: 1
by xianghjun » Tue May 13, 2008 2:19 pm

1 Replies

1896 Views

Last post by support_vasp
Wed Sep 11, 2024 1:44 pm
a strange quesion about occupation

Last post by support_vasp « Wed Sep 11, 2024 1:44 pm
Replies: 1
by njuxyh » Thu Jul 03, 2008 7:45 am

1 Replies

1964 Views

Last post by support_vasp
Wed Sep 11, 2024 1:44 pm
LDA+U CoO insulator problem

Last post by support_vasp « Wed Sep 11, 2024 1:44 pm
Replies: 1
by yvetteh » Tue Jul 01, 2008 3:38 pm

1 Replies

1894 Views

Last post by support_vasp
Wed Sep 11, 2024 1:44 pm
Orthorhombic phase of LiMn2O4

Last post by support_vasp « Wed Sep 11, 2024 1:44 pm
Replies: 1
by slgupta » Fri Jun 27, 2008 5:29 pm

1 Replies

1799 Views

Last post by support_vasp
Wed Sep 11, 2024 1:44 pm
Unrestricted KS?

Last post by support_vasp « Wed Sep 11, 2024 1:44 pm
Replies: 1
by simoneca » Tue Jun 24, 2008 4:33 pm

1 Replies

2406 Views

Last post by support_vasp
Wed Sep 11, 2024 1:44 pm
release date of vasp 5 ?

Last post by support_vasp « Wed Sep 11, 2024 1:44 pm
Replies: 1
by jhlee » Fri Jun 13, 2008 3:50 am

1 Replies

1839 Views

Last post by support_vasp
Wed Sep 11, 2024 1:44 pm
molecular dynamics

Last post by support_vasp « Wed Sep 11, 2024 1:43 pm
Replies: 1
by saswata » Tue Apr 15, 2008 6:30 pm

1 Replies

3041 Views

Last post by support_vasp
Wed Sep 11, 2024 1:43 pm
SCF convergence

Last post by support_vasp « Wed Sep 11, 2024 1:43 pm
Replies: 1
by tholme » Wed Oct 03, 2007 5:26 pm

1 Replies

2412 Views

Last post by support_vasp
Wed Sep 11, 2024 1:43 pm
How to get the electron momentum density ?

Last post by support_vasp « Wed Sep 11, 2024 1:43 pm
Replies: 1
by math123 » Tue Apr 01, 2008 8:19 pm

1 Replies

2064 Views

Last post by support_vasp
Wed Sep 11, 2024 1:43 pm
Is Na_pv pseutopotential norm-conserving or ultrasoft?

Last post by support_vasp « Wed Sep 11, 2024 1:43 pm
Replies: 1
by Brane » Thu Mar 27, 2008 10:14 pm

1 Replies

2074 Views

Last post by support_vasp
Wed Sep 11, 2024 1:43 pm
Geometrical constrains

Last post by support_vasp « Wed Sep 11, 2024 1:43 pm
Replies: 1
by inam74 » Sun Mar 23, 2008 7:24 pm

1 Replies

1940 Views

Last post by support_vasp
Wed Sep 11, 2024 1:43 pm
External Electric Field

Last post by support_vasp « Wed Sep 11, 2024 1:43 pm
Replies: 1
by yilmaz » Fri Mar 21, 2008 4:04 am

1 Replies

2302 Views

Last post by support_vasp
Wed Sep 11, 2024 1:43 pm
question of triplet or singlet oxygen molecule calculation

Last post by support_vasp « Wed Sep 11, 2024 1:43 pm
Replies: 1
by himmelliebe » Thu Mar 20, 2008 5:53 am

1 Replies

3034 Views

Last post by support_vasp
Wed Sep 11, 2024 1:43 pm
spin-orbit in VASP

Last post by support_vasp « Wed Sep 11, 2024 1:42 pm
Replies: 1
by bth20 » Fri Mar 14, 2008 9:01 am

1 Replies

2071 Views

Last post by support_vasp
Wed Sep 11, 2024 1:42 pm
About magnetic anisotropy calculation

Last post by support_vasp « Wed Sep 11, 2024 1:42 pm
Replies: 1
by skythinker » Sat May 10, 2008 2:48 am

1 Replies

2579 Views

Last post by support_vasp
Wed Sep 11, 2024 1:42 pm
Spin-polarized calculations: theory

Last post by support_vasp « Wed Sep 11, 2024 1:42 pm
Replies: 1
by krihen » Fri May 09, 2008 8:37 am

1 Replies

1904 Views

Last post by support_vasp
Wed Sep 11, 2024 1:42 pm
Local DOS evaluated at off-atom position

Last post by support_vasp « Wed Sep 11, 2024 1:42 pm
Replies: 1
by schmidtj1 » Wed Apr 23, 2008 8:16 pm

1 Replies

2449 Views

Last post by support_vasp
Wed Sep 11, 2024 1:42 pm
IMAGES RELAXATION

Last post by support_vasp « Wed Sep 11, 2024 1:42 pm
Replies: 1
by Eduard » Tue Apr 22, 2008 4:06 pm

1 Replies

2189 Views

Last post by support_vasp
Wed Sep 11, 2024 1:42 pm
How can I calculate band gap

Last post by support_vasp « Wed Sep 11, 2024 1:42 pm
Replies: 1
by lvchen » Thu Nov 29, 2007 5:04 am

1 Replies

2675 Views

Last post by support_vasp
Wed Sep 11, 2024 1:42 pm
Pd d band vacancies

Last post by support_vasp « Wed Sep 11, 2024 1:42 pm
Replies: 1
by phoudha » Fri Oct 05, 2007 2:48 pm

1 Replies

2466 Views

Last post by support_vasp
Wed Sep 11, 2024 1:42 pm

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