Using VASP

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Vacuum reference from charged calculations

Last post by support_vasp « Thu Sep 12, 2024 7:14 am
Replies: 1
by hipertrofia » Wed Mar 11, 2015 4:51 pm

1 Replies

2295 Views

Last post by support_vasp
Thu Sep 12, 2024 7:14 am
Constrain DFT

Last post by support_vasp « Thu Sep 12, 2024 7:14 am
Replies: 1
by sponce » Wed Jun 25, 2014 12:59 pm

1 Replies

3018 Views

Last post by support_vasp
Thu Sep 12, 2024 7:14 am
NELECT doping effect

Last post by support_vasp « Thu Sep 12, 2024 7:13 am
Replies: 1
by bogo0103 » Mon Mar 09, 2015 9:47 am

1 Replies

2852 Views

Last post by support_vasp
Thu Sep 12, 2024 7:13 am
center of mass in nudged elastic band

Last post by support_vasp « Thu Sep 12, 2024 7:13 am
Replies: 1
by zhu » Wed Mar 04, 2015 3:48 pm

1 Replies

2050 Views

Last post by support_vasp
Thu Sep 12, 2024 7:13 am
LMONO and IDIPOL

Last post by support_vasp « Thu Sep 12, 2024 7:13 am
Replies: 1
by mickeyshaughnessy » Mon Jan 06, 2014 6:28 pm

1 Replies

2517 Views

Last post by support_vasp
Thu Sep 12, 2024 7:13 am
Overlapping PAW Spheres

Last post by support_vasp « Thu Sep 12, 2024 7:13 am
Replies: 1
by juanquij0te » Sat Jun 21, 2014 10:35 pm

1 Replies

2417 Views

Last post by support_vasp
Thu Sep 12, 2024 7:13 am
The fermi level downshifted below VBM when using GW method

Last post by support_vasp « Thu Sep 12, 2024 7:13 am
Replies: 1
by hol28 » Tue Jun 18, 2013 5:06 pm

1 Replies

2341 Views

Last post by support_vasp
Thu Sep 12, 2024 7:13 am
GW calculation.

Last post by support_vasp « Thu Sep 12, 2024 7:13 am
Replies: 1
by rafaelbna » Tue Oct 29, 2013 3:18 pm

1 Replies

1737 Views

Last post by support_vasp
Thu Sep 12, 2024 7:13 am
shifting k-points for optics

Last post by support_vasp « Thu Sep 12, 2024 7:13 am
Replies: 1
by sponza » Mon Jan 06, 2014 7:29 pm

1 Replies

1876 Views

Last post by support_vasp
Thu Sep 12, 2024 7:13 am
Simulated TEM images

Last post by support_vasp « Thu Sep 12, 2024 7:12 am
Replies: 1
by yanzilai » Sun Jun 22, 2014 9:50 am

1 Replies

2019 Views

Last post by support_vasp
Thu Sep 12, 2024 7:12 am
equation 23 from VASP website lecture: "Introduction to DFT"

Last post by support_vasp « Thu Sep 12, 2024 7:12 am
Replies: 1
by vasp_user » Wed Oct 30, 2013 2:42 am

1 Replies

2217 Views

Last post by support_vasp
Thu Sep 12, 2024 7:12 am
Point group question

Last post by support_vasp « Thu Sep 12, 2024 7:12 am
Replies: 1
by camilo » Mon Aug 13, 2012 5:22 am

1 Replies

1674 Views

Last post by support_vasp
Thu Sep 12, 2024 7:12 am
Phonon eigenfrequencies with IBRION=5/6

Last post by support_vasp « Thu Sep 12, 2024 7:12 am
Replies: 1
by dholec » Wed Mar 05, 2014 3:29 pm

1 Replies

2316 Views

Last post by support_vasp
Thu Sep 12, 2024 7:12 am
How to do pw1pw hybrid functional calculaitons

Last post by support_vasp « Thu Sep 12, 2024 7:12 am
Replies: 1
by felixvasp » Wed May 02, 2012 9:50 am

1 Replies

2026 Views

Last post by support_vasp
Thu Sep 12, 2024 7:12 am
Spin Orbit coupling implementation

Last post by support_vasp « Thu Sep 12, 2024 7:12 am
Replies: 1
by fsymalla » Thu May 03, 2012 12:02 am

1 Replies

2026 Views

Last post by support_vasp
Thu Sep 12, 2024 7:12 am
Charged clusters - zeolite anion

Last post by support_vasp « Thu Sep 12, 2024 7:12 am
Replies: 1
by ajones » Thu Mar 15, 2012 10:25 pm

1 Replies

2127 Views

Last post by support_vasp
Thu Sep 12, 2024 7:12 am
Symmetry determination confusion

Last post by support_vasp « Thu Sep 12, 2024 7:11 am
Replies: 1
by terencelz » Fri Mar 07, 2014 11:18 pm

1 Replies

2227 Views

Last post by support_vasp
Thu Sep 12, 2024 7:11 am
spontaneous polarization using vasp 5.2

Last post by support_vasp « Thu Sep 12, 2024 7:11 am
Replies: 1
by wmh » Fri Jan 20, 2012 6:17 pm

1 Replies

2760 Views

Last post by support_vasp
Thu Sep 12, 2024 7:11 am
dipole correction and convergence problems for slab

Last post by support_vasp « Thu Sep 12, 2024 7:11 am
Replies: 1
by cgduan » Fri Jun 21, 2013 3:04 am

1 Replies

1806 Views

Last post by support_vasp
Thu Sep 12, 2024 7:11 am
Change of basis vectors lead to different forces

Last post by support_vasp « Thu Sep 12, 2024 7:11 am
Replies: 1
by sciencemonk » Mon Oct 08, 2012 6:28 am

1 Replies

2090 Views

Last post by support_vasp
Thu Sep 12, 2024 7:11 am

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