Using VASP

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Noncollinear magnetic calculation Supercell and Original cell

Last post by support_vasp « Thu Sep 12, 2024 8:53 am
Replies: 1
by leostorm10 » Thu Sep 01, 2011 8:07 am

1 Replies

5120 Views

Last post by support_vasp
Thu Sep 12, 2024 8:53 am
Specific Activity in VASP for Pt3Ni

Last post by support_vasp « Thu Sep 12, 2024 8:53 am
Replies: 1
by sharma » Fri Oct 29, 2010 10:38 am

1 Replies

4960 Views

Last post by support_vasp
Thu Sep 12, 2024 8:53 am
what is the symmetry of the molecule being computed

Last post by support_vasp « Thu Sep 12, 2024 8:53 am
Replies: 1
by muthukumar2k3 » Wed Jul 07, 2010 12:53 pm

1 Replies

5685 Views

Last post by support_vasp
Thu Sep 12, 2024 8:53 am
Please help me understand VASP's conversion from cartesian to fractional coordinates.

Last post by support_vasp « Thu Sep 12, 2024 8:52 am
Replies: 1
by Sharani » Tue Jul 06, 2010 10:34 pm

1 Replies

8002 Views

Last post by support_vasp
Thu Sep 12, 2024 8:52 am
How to calculate Chern number from VASP?

Last post by support_vasp « Thu Sep 12, 2024 8:52 am
Replies: 1
by xfh00 » Thu Apr 14, 2011 5:07 pm

1 Replies

5262 Views

Last post by support_vasp
Thu Sep 12, 2024 8:52 am
Stress components

Last post by support_vasp « Thu Sep 12, 2024 8:52 am
Replies: 1
by nkxirainbow » Fri Jun 03, 2011 10:37 am

1 Replies

5012 Views

Last post by support_vasp
Thu Sep 12, 2024 8:52 am
about the parity of wavefunction

Last post by support_vasp « Thu Sep 12, 2024 8:52 am
Replies: 1
by xinhuanwen » Thu Jun 02, 2011 12:28 pm

1 Replies

5508 Views

Last post by support_vasp
Thu Sep 12, 2024 8:52 am
Large Energy Drift in Long Running Molecular Dynamics

Last post by support_vasp « Thu Sep 12, 2024 8:52 am
Replies: 1
by abalone » Wed Jun 01, 2011 7:16 pm

1 Replies

5157 Views

Last post by support_vasp
Thu Sep 12, 2024 8:52 am
atomic spheres for LORBIT=10, 11, or 12

Last post by support_vasp « Thu Sep 12, 2024 8:52 am
Replies: 1
by alex1981 » Fri Sep 03, 2010 8:45 pm

1 Replies

4509 Views

Last post by support_vasp
Thu Sep 12, 2024 8:52 am
surface defects

Last post by support_vasp « Thu Sep 12, 2024 8:52 am
Replies: 1
by kiahadidi » Tue Apr 12, 2011 3:29 pm

1 Replies

4856 Views

Last post by support_vasp
Thu Sep 12, 2024 8:52 am
zero-point and 300 K simulation

Last post by support_vasp « Thu Sep 12, 2024 8:51 am
Replies: 1
by lqzhang » Wed Apr 13, 2011 10:06 pm

1 Replies

4252 Views

Last post by support_vasp
Thu Sep 12, 2024 8:51 am
E_field, LVTOT: Why voltage drop is only one half ??

Last post by support_vasp « Thu Sep 12, 2024 8:51 am
Replies: 1
by jjhskang » Thu Sep 02, 2010 8:14 am

1 Replies

5873 Views

Last post by support_vasp
Thu Sep 12, 2024 8:51 am
problem: calculation the dipolemoment of the layered system

Last post by support_vasp « Thu Sep 12, 2024 8:51 am
Replies: 1
by guo,huaihong » Tue Dec 21, 2010 8:46 am

1 Replies

4715 Views

Last post by support_vasp
Thu Sep 12, 2024 8:51 am
How to understand two minimum energy paths for one diffusion?

Last post by support_vasp « Thu Sep 12, 2024 8:51 am
Replies: 1
by tracy » Thu May 21, 2009 3:31 am

1 Replies

4823 Views

Last post by support_vasp
Thu Sep 12, 2024 8:51 am
How to cleave (square root 3 x square root 3) surface from a bulk structure?

Last post by support_vasp « Thu Sep 12, 2024 8:51 am
Replies: 1
by yasin » Sun Apr 10, 2011 10:56 am

1 Replies

4435 Views

Last post by support_vasp
Thu Sep 12, 2024 8:51 am
error in caclulation of dielectric constant

Last post by support_vasp « Thu Sep 12, 2024 8:51 am
Replies: 1
by mayankaditya » Sat Apr 09, 2011 2:25 pm

1 Replies

4413 Views

Last post by support_vasp
Thu Sep 12, 2024 8:51 am
How to calculate the dipole correction for dipolar crystal

Last post by support_vasp « Thu Sep 12, 2024 8:50 am
Replies: 1
by ffdeli » Mon Jan 31, 2011 2:03 am

1 Replies

4337 Views

Last post by support_vasp
Thu Sep 12, 2024 8:50 am
Spin-Orbit calculation with born effective charge

Last post by support_vasp « Thu Sep 12, 2024 8:50 am
Replies: 1
by leostorm10 » Sun Dec 19, 2010 2:37 pm

1 Replies

5097 Views

Last post by support_vasp
Thu Sep 12, 2024 8:50 am
augmentation occupancies

Last post by support_vasp « Thu Sep 12, 2024 8:50 am
Replies: 1
by alex1981 » Tue Aug 31, 2010 2:50 am

1 Replies

4580 Views

Last post by support_vasp
Thu Sep 12, 2024 8:50 am
Dipole moment calculation during MD: supported or not?

Last post by support_vasp « Thu Sep 12, 2024 8:49 am
Replies: 1
by 5-903 » Sun Oct 14, 2012 9:58 pm

1 Replies

4735 Views

Last post by support_vasp
Thu Sep 12, 2024 8:49 am

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