Using VASP

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Failure to get the fcc Al structure starting from bct structure

Last post by support_vasp « Thu Sep 12, 2024 7:15 am
Replies: 1
by leoant » Mon Jun 17, 2013 7:52 pm

1 Replies

1212 Views

Last post by support_vasp
Thu Sep 12, 2024 7:15 am
direct minimization of kohn sham energy functional versus diagonalizing the kohn sham equations

Last post by support_vasp « Thu Sep 12, 2024 7:15 am
Replies: 1
by vasp_user » Tue Oct 29, 2013 8:55 am

1 Replies

1126 Views

Last post by support_vasp
Thu Sep 12, 2024 7:15 am
Dielectric constant as a function of low frequency

Last post by support_vasp « Thu Sep 12, 2024 7:14 am
Replies: 1
by yifitry » Fri Jun 20, 2014 4:31 pm

1 Replies

1204 Views

Last post by support_vasp
Thu Sep 12, 2024 7:14 am
How to get the kinetic energy of electrons in OUTCAR?

Last post by support_vasp « Thu Sep 12, 2024 7:14 am
Replies: 1
by tonyngch » Sat Aug 16, 2014 12:08 pm

1 Replies

1461 Views

Last post by support_vasp
Thu Sep 12, 2024 7:14 am
[moved] How one can determine conduction band minima accurately

Last post by support_vasp « Thu Sep 12, 2024 7:14 am
Replies: 1
by magnon963 » Fri Jan 20, 2012 7:02 am

1 Replies

1232 Views

Last post by support_vasp
Thu Sep 12, 2024 7:14 am
LSDA+U fail to tune the bandstructure of Am-based compounds

Last post by support_vasp « Thu Sep 12, 2024 7:14 am
Replies: 1
by gump » Mon Apr 30, 2012 3:37 am

1 Replies

1147 Views

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

1516 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

2111 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

1989 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

1259 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

1516 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

1570 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

1574 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

1008 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

1029 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

1282 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

1213 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

984 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

1329 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

1300 Views

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

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