Using VASP

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Mining an old OUTCAR for ML_AB data?

Last post by jianxiang_lian « Thu Sep 12, 2024 1:35 pm
Replies: 3
by victor_robinson » Fri Mar 17, 2023 10:18 pm

3 Replies

7295 Views

Last post by jianxiang_lian
Thu Sep 12, 2024 1:35 pm
constrained distance during structurl optimization

Last post by support_vasp « Thu Sep 12, 2024 9:06 am
Replies: 1
by ipek » Mon Sep 01, 2014 7:40 pm

1 Replies

6281 Views

Last post by support_vasp
Thu Sep 12, 2024 9:06 am
Problem in electronic iterations convergence

Last post by support_vasp « Thu Sep 12, 2024 9:06 am
Replies: 1
by zahra » Mon Sep 01, 2014 1:21 am

1 Replies

5913 Views

Last post by support_vasp
Thu Sep 12, 2024 9:06 am
Meaning of projected-DOS for LDA+U+SOC calculation

Last post by support_vasp « Thu Sep 12, 2024 9:06 am
Replies: 1
by jhbyouni » Thu Jul 10, 2014 3:59 am

1 Replies

6072 Views

Last post by support_vasp
Thu Sep 12, 2024 9:06 am
unable to constrain moments

Last post by support_vasp « Thu Sep 12, 2024 9:06 am
Replies: 1
by tsmidt » Tue Jul 08, 2014 4:44 am

1 Replies

5432 Views

Last post by support_vasp
Thu Sep 12, 2024 9:06 am
meta-GGA INCAR file

Last post by support_vasp « Thu Sep 12, 2024 9:05 am
Replies: 1
by giacomo giorgi » Tue Jul 08, 2014 3:09 am

1 Replies

6552 Views

Last post by support_vasp
Thu Sep 12, 2024 9:05 am
Range-separated DFT functionals

Last post by support_vasp « Thu Sep 12, 2024 9:05 am
Replies: 1
by ashwin » Tue Jul 08, 2014 12:15 am

1 Replies

5218 Views

Last post by support_vasp
Thu Sep 12, 2024 9:05 am
Magnetic anisotropy splitting over atoms

Last post by support_vasp « Thu Sep 12, 2024 9:05 am
Replies: 1
by rc1ph » Mon Jul 07, 2014 4:47 pm

1 Replies

5297 Views

Last post by support_vasp
Thu Sep 12, 2024 9:05 am
OpenDX or .net format

Last post by support_vasp « Thu Sep 12, 2024 9:05 am
Replies: 1
by Sonny » Sat Jul 05, 2014 7:18 am

1 Replies

4767 Views

Last post by support_vasp
Thu Sep 12, 2024 9:05 am
What are updated in spin-SOC with ICHARG=11?

Last post by support_vasp « Thu Sep 12, 2024 9:04 am
Replies: 1
by qquark » Fri Nov 21, 2014 10:58 am

1 Replies

4889 Views

Last post by support_vasp
Thu Sep 12, 2024 9:04 am
Dielectric function with gaussian smearing

Last post by support_vasp « Thu Sep 12, 2024 9:04 am
Replies: 1
by gbal » Fri Jun 05, 2015 4:02 pm

1 Replies

4724 Views

Last post by support_vasp
Thu Sep 12, 2024 9:04 am
berendsen thermostat

Last post by support_vasp « Thu Sep 12, 2024 9:04 am
Replies: 1
by sammu09 » Thu Jul 10, 2014 3:06 pm

1 Replies

4831 Views

Last post by support_vasp
Thu Sep 12, 2024 9:04 am
Spin-orbit coupling and valence electrons

Last post by support_vasp « Thu Sep 12, 2024 9:04 am
Replies: 1
by KGov » Thu Jul 10, 2014 3:34 pm

1 Replies

4586 Views

Last post by support_vasp
Thu Sep 12, 2024 9:04 am
Error in dipole correction (IDIPOL = 4)

Last post by support_vasp « Thu Sep 12, 2024 9:04 am
Replies: 1
by Renyu » Sat Apr 16, 2011 5:23 am

1 Replies

5920 Views

Last post by support_vasp
Thu Sep 12, 2024 9:04 am
The errors when the force constants were calculated.

Last post by support_vasp « Thu Sep 12, 2024 9:03 am
Replies: 1
by xinhuanwen » Sat Apr 26, 2014 10:19 am

1 Replies

5149 Views

Last post by support_vasp
Thu Sep 12, 2024 9:03 am
Calcium caculation

Last post by support_vasp « Thu Sep 12, 2024 9:03 am
Replies: 1
by pswkd » Fri Apr 25, 2014 7:15 am

1 Replies

4520 Views

Last post by support_vasp
Thu Sep 12, 2024 9:03 am
Magnetic Properties

Last post by support_vasp « Thu Sep 12, 2024 9:03 am
Replies: 1
by sandeepjain » Fri Apr 18, 2014 7:21 am

1 Replies

4572 Views

Last post by support_vasp
Thu Sep 12, 2024 9:03 am
NaF Berry Phase calculation

Last post by support_vasp « Thu Sep 12, 2024 9:03 am
Replies: 1
by tilak » Fri Jan 17, 2014 5:14 pm

1 Replies

4619 Views

Last post by support_vasp
Thu Sep 12, 2024 9:03 am
Berry Phase: Calculate the Polarization from "Born effective charge" or "Total dipole moment"?

Last post by support_vasp « Thu Sep 12, 2024 9:02 am
Replies: 1
by tilak » Thu Jan 16, 2014 12:59 pm

1 Replies

3195 Views

Last post by support_vasp
Thu Sep 12, 2024 9:02 am
What is reference energy of E0?

Last post by support_vasp « Thu Sep 12, 2024 9:02 am
Replies: 1
by foifrit1 » Wed Jan 15, 2014 6:54 pm

1 Replies

3011 Views

Last post by support_vasp
Thu Sep 12, 2024 9:02 am

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