Using VASP

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How can I calculate the ground state energy levels for Fe atom

Last post by support_vasp « Wed Sep 11, 2024 1:58 pm
Replies: 1
by spakinfo » Tue Mar 31, 2009 9:23 am

1 Replies

3337 Views

Last post by support_vasp
Wed Sep 11, 2024 1:58 pm
query about calculation of magnetic moments

Last post by support_vasp « Wed Sep 11, 2024 1:58 pm
Replies: 1
by Neha Kapila » Mon Mar 30, 2009 11:31 am

1 Replies

2929 Views

Last post by support_vasp
Wed Sep 11, 2024 1:58 pm
Questions on NEB

Last post by support_vasp « Wed Sep 11, 2024 1:58 pm
Replies: 1
by xzglovenk » Thu Mar 26, 2009 7:25 am

1 Replies

2656 Views

Last post by support_vasp
Wed Sep 11, 2024 1:58 pm
How to model the Proton Particle - Urgent

Last post by support_vasp « Wed Sep 11, 2024 1:57 pm
Replies: 1
by victory2401 » Tue Dec 16, 2008 8:41 am

1 Replies

3485 Views

Last post by support_vasp
Wed Sep 11, 2024 1:57 pm
What's the problem?

Last post by support_vasp « Wed Sep 11, 2024 1:57 pm
Replies: 1
by xfh00 » Thu Mar 05, 2009 9:54 am

1 Replies

2552 Views

Last post by support_vasp
Wed Sep 11, 2024 1:57 pm
ionic step not converge

Last post by support_vasp « Wed Sep 11, 2024 1:57 pm
Replies: 1
by vaspGG » Mon Mar 02, 2009 9:03 am

1 Replies

3265 Views

Last post by support_vasp
Wed Sep 11, 2024 1:57 pm
Propability current

Last post by support_vasp « Wed Sep 11, 2024 1:57 pm
Replies: 1
by kh » Tue Feb 17, 2009 11:52 am

1 Replies

2753 Views

Last post by support_vasp
Wed Sep 11, 2024 1:57 pm
Spin-orbit coupling

Last post by support_vasp « Wed Sep 11, 2024 1:57 pm
Replies: 1
by goja25 » Fri Jan 16, 2009 3:13 pm

1 Replies

2998 Views

Last post by support_vasp
Wed Sep 11, 2024 1:57 pm
Unit cell geometry

Last post by support_vasp « Wed Sep 11, 2024 1:57 pm
Replies: 1
by bandri » Wed Jan 14, 2009 1:07 pm

1 Replies

3121 Views

Last post by support_vasp
Wed Sep 11, 2024 1:57 pm
NEB, transition metal oxide, spin multiplicity

Last post by support_vasp « Wed Sep 11, 2024 1:57 pm
Replies: 1
by dfcox » Mon Jan 12, 2009 3:33 pm

1 Replies

3787 Views

Last post by support_vasp
Wed Sep 11, 2024 1:57 pm
Berry phase calculation

Last post by support_vasp « Wed Sep 11, 2024 1:56 pm
Replies: 1
by azurezhang » Mon Jan 12, 2009 9:54 pm

1 Replies

2775 Views

Last post by support_vasp
Wed Sep 11, 2024 1:56 pm
pressure unity

Last post by support_vasp « Wed Sep 11, 2024 1:56 pm
Replies: 1
by rghomari » Fri Jan 09, 2009 10:46 pm

1 Replies

2780 Views

Last post by support_vasp
Wed Sep 11, 2024 1:56 pm
A query of "dangling bonds" calculation by using VASP

Last post by support_vasp « Wed Sep 11, 2024 1:56 pm
Replies: 1
by pang_qing » Fri Jan 09, 2009 1:37 pm

1 Replies

2735 Views

Last post by support_vasp
Wed Sep 11, 2024 1:56 pm
LDA+U hangs after POTLOK

Last post by support_vasp « Wed Sep 11, 2024 1:56 pm
Replies: 1
by marla » Sat Dec 27, 2008 8:28 pm

1 Replies

3174 Views

Last post by support_vasp
Wed Sep 11, 2024 1:56 pm
is the occupation not reliable in non-selfconsistent calculation

Last post by support_vasp « Wed Sep 11, 2024 1:56 pm
Replies: 1
by njuxyh » Tue Aug 05, 2008 12:52 pm

1 Replies

2830 Views

Last post by support_vasp
Wed Sep 11, 2024 1:56 pm
band structure calculation -- error reading file KPOINTS, line 4

Last post by support_vasp « Wed Sep 11, 2024 1:56 pm
Replies: 1
by socks » Mon Dec 01, 2008 9:59 am

1 Replies

3899 Views

Last post by support_vasp
Wed Sep 11, 2024 1:56 pm
force convergence : difficult to acheive for Y2Ti2O7

Last post by support_vasp « Wed Sep 11, 2024 1:56 pm
Replies: 1
by prithwish » Sat Nov 29, 2008 12:32 pm

1 Replies

5967 Views

Last post by support_vasp
Wed Sep 11, 2024 1:56 pm
dipolar correction

Last post by support_vasp « Wed Sep 11, 2024 1:55 pm
Replies: 1
by FLC » Wed Nov 26, 2008 12:10 pm

1 Replies

2887 Views

Last post by support_vasp
Wed Sep 11, 2024 1:55 pm
relative energy in charged system

Last post by support_vasp « Wed Sep 11, 2024 1:55 pm
Replies: 1
by TMAC » Mon Nov 24, 2008 2:43 am

1 Replies

3158 Views

Last post by support_vasp
Wed Sep 11, 2024 1:55 pm
ERROR: there must be 1 or 3 items on line 2 of POSCAR

Last post by support_vasp « Wed Sep 11, 2024 1:55 pm
Replies: 1
by cosmos » Fri Sep 26, 2008 6:17 am

1 Replies

6307 Views

Last post by support_vasp
Wed Sep 11, 2024 1:55 pm

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