Using VASP

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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

5599 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

4295 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

4379 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

3881 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

3992 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

3836 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

3930 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

3724 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

4375 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

4238 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

3642 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

3650 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

3741 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

2365 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

2115 Views

Last post by support_vasp
Thu Sep 12, 2024 9:02 am
how do i caculate the inner product of AE wavefunction (save as paw wf.) from the wave car?

Last post by support_vasp « Thu Sep 12, 2024 9:02 am
Replies: 1
by talenth1 » Mon Jan 13, 2014 12:41 pm

1 Replies

1638 Views

Last post by support_vasp
Thu Sep 12, 2024 9:02 am
Problems with homo e lumo, and the range energy in DOS

Last post by support_vasp « Thu Sep 12, 2024 9:02 am
Replies: 1
by neel » Mon Jan 13, 2014 10:42 pm

1 Replies

1680 Views

Last post by support_vasp
Thu Sep 12, 2024 9:02 am
VDW_C6

Last post by support_vasp « Thu Sep 12, 2024 9:02 am
Replies: 1
by yundong » Sat Nov 02, 2013 2:09 pm

1 Replies

1644 Views

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

Last post by support_vasp « Thu Sep 12, 2024 9:01 am
Replies: 1
by giacomo giorgi » Wed Oct 02, 2013 5:15 am

1 Replies

1795 Views

Last post by support_vasp
Thu Sep 12, 2024 9:01 am
how to have the kinetic, potential, exchange and correlation energy from VASP calculation

Last post by support_vasp « Thu Sep 12, 2024 9:01 am
Replies: 1
by wen » Thu Oct 31, 2013 6:32 am

1 Replies

1683 Views

Last post by support_vasp
Thu Sep 12, 2024 9:01 am

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