Using VASP

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DFT+U+SOC protocol?

Last post by support_vasp « Thu Sep 12, 2024 8:54 am
Replies: 1
by sondon » Wed Nov 30, 2011 11:52 pm

1 Replies

2042 Views

Last post by support_vasp
Thu Sep 12, 2024 8:54 am
ACFDT-RPA calculations

Last post by support_vasp « Thu Sep 12, 2024 8:54 am
Replies: 1
by xwwell » Wed Nov 30, 2011 5:51 pm

1 Replies

1740 Views

Last post by support_vasp
Thu Sep 12, 2024 8:54 am
problem regarding kpoints

Last post by support_vasp « Thu Sep 12, 2024 8:54 am
Replies: 1
by nikila » Wed Nov 30, 2011 4:15 pm

1 Replies

1552 Views

Last post by support_vasp
Thu Sep 12, 2024 8:54 am
Polarization density

Last post by support_vasp « Thu Sep 12, 2024 8:53 am
Replies: 1
by Murugan » Mon Oct 10, 2011 7:21 pm

1 Replies

1442 Views

Last post by support_vasp
Thu Sep 12, 2024 8:53 am
how to calculate PDOS for the system with d electrons?

Last post by support_vasp « Thu Sep 12, 2024 8:53 am
Replies: 1
by gloomy2004 » Mon Jul 18, 2011 10:45 pm

1 Replies

1876 Views

Last post by support_vasp
Thu Sep 12, 2024 8:53 am
abnormal 'NAN' during b3lyp calculation

Last post by support_vasp « Thu Sep 12, 2024 8:53 am
Replies: 1
by leegeunsik » Thu Sep 01, 2011 6:17 pm

1 Replies

2286 Views

Last post by support_vasp
Thu Sep 12, 2024 8:53 am
CHGCAR flow analysis due to an adsorption

Last post by support_vasp « Thu Sep 12, 2024 8:53 am
Replies: 1
by sibud » Thu Sep 01, 2011 1:42 pm

1 Replies

1557 Views

Last post by support_vasp
Thu Sep 12, 2024 8:53 am
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

1553 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

1541 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

2262 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

3341 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

2196 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

1635 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

2072 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

1993 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

1637 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

1746 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

1332 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

2658 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

1558 Views

Last post by support_vasp
Thu Sep 12, 2024 8:51 am

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