Using VASP

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Reduced Masses

Last post by support_vasp « Thu Sep 12, 2024 7:16 am
Replies: 1
by mrmol » Wed Nov 16, 2011 4:29 pm

1 Replies

2887 Views

Last post by support_vasp
Thu Sep 12, 2024 7:16 am
Memory Question

Last post by support_vasp « Thu Sep 12, 2024 7:16 am
Replies: 1
by crajesh » Fri Sep 28, 2012 12:05 pm

1 Replies

2495 Views

Last post by support_vasp
Thu Sep 12, 2024 7:16 am
very different band structure from HSE06 and GW

Last post by support_vasp « Thu Sep 12, 2024 7:16 am
Replies: 1
by caesarmu » Sat Nov 30, 2013 5:26 am

1 Replies

2981 Views

Last post by support_vasp
Thu Sep 12, 2024 7:16 am
pV calculation using pstress

Last post by support_vasp « Thu Sep 12, 2024 7:15 am
Replies: 1
by netscape88 » Thu Sep 25, 2014 2:53 pm

1 Replies

3585 Views

Last post by support_vasp
Thu Sep 12, 2024 7:15 am
MD segmentation fault

Last post by support_vasp « Thu Sep 12, 2024 7:15 am
Replies: 1
by giacomo giorgi » Fri Jan 20, 2012 4:39 am

1 Replies

3264 Views

Last post by support_vasp
Thu Sep 12, 2024 7:15 am
Can the electron distribution being 0.5 for spin up and 0.5 for spin down in OUTCAR?

Last post by support_vasp « Thu Sep 12, 2024 7:15 am
Replies: 1
by handxiaoxi » Sat Aug 11, 2012 4:30 am

1 Replies

2766 Views

Last post by support_vasp
Thu Sep 12, 2024 7:15 am
Computing electronic free energy

Last post by support_vasp « Thu Sep 12, 2024 7:15 am
Replies: 1
by dEnvar » Fri Sep 28, 2012 7:52 pm

1 Replies

3171 Views

Last post by support_vasp
Thu Sep 12, 2024 7:15 am
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

2944 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

2991 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

3233 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

3419 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

3223 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

3125 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

3414 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

4254 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

4006 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

3120 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

3977 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

3892 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

3532 Views

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

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