Using VASP

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How to calculate the projection of wave function between supercell and corresponding primitive cell

Last post by support_vasp « Thu Sep 12, 2024 7:21 am
Replies: 1
by xijinyang » Thu Nov 29, 2012 7:27 am

1 Replies

2791 Views

Last post by support_vasp
Thu Sep 12, 2024 7:21 am
determination of MAGMOM for spin orbit coupling

Last post by support_vasp « Thu Sep 12, 2024 7:21 am
Replies: 1
by luke419 » Mon Feb 20, 2017 8:40 am

1 Replies

4247 Views

Last post by support_vasp
Thu Sep 12, 2024 7:21 am
NEB for an AFM system

Last post by support_vasp « Thu Sep 12, 2024 7:21 am
Replies: 1
by Antcl » Thu Jan 28, 2016 5:54 pm

1 Replies

3152 Views

Last post by support_vasp
Thu Sep 12, 2024 7:21 am
2D system ISIF setting

Last post by support_vasp « Thu Sep 12, 2024 7:21 am
Replies: 1
by mimisee » Sun Aug 11, 2013 10:39 am

1 Replies

3358 Views

Last post by support_vasp
Thu Sep 12, 2024 7:21 am
How to calculate the dielectric function for metal using VAS

Last post by support_vasp « Thu Sep 12, 2024 7:21 am
Replies: 1
by plasmon » Fri Feb 26, 2016 10:25 am

1 Replies

3668 Views

Last post by support_vasp
Thu Sep 12, 2024 7:21 am
piezoelectric "d" coefficient by DFPT

Last post by support_vasp « Thu Sep 12, 2024 7:20 am
Replies: 1
by okuno » Mon Feb 15, 2016 11:40 am

1 Replies

3881 Views

Last post by support_vasp
Thu Sep 12, 2024 7:20 am
Spilling of Charge in spin polarized calculations

Last post by support_vasp « Thu Sep 12, 2024 7:20 am
Replies: 1
by pankajsahota » Tue Feb 09, 2016 10:57 pm

1 Replies

3062 Views

Last post by support_vasp
Thu Sep 12, 2024 7:20 am
LDIPOL with GW0

Last post by support_vasp « Thu Sep 12, 2024 7:20 am
Replies: 1
by askhetan » Mon Feb 08, 2016 6:04 pm

1 Replies

3484 Views

Last post by support_vasp
Thu Sep 12, 2024 7:20 am
OPTIC file

Last post by support_vasp « Thu Sep 12, 2024 7:20 am
Replies: 1
by chandrima » Wed Sep 21, 2011 6:00 am

1 Replies

3063 Views

Last post by support_vasp
Thu Sep 12, 2024 7:20 am
detail about copies of cells before PBC enforced

Last post by support_vasp « Thu Sep 12, 2024 7:20 am
Replies: 1
by vasp_user » Mon Oct 28, 2013 10:01 am

1 Replies

3178 Views

Last post by support_vasp
Thu Sep 12, 2024 7:20 am
Constraining the direction of magnetic moments

Last post by support_vasp « Thu Sep 12, 2024 7:20 am
Replies: 1
by hnam9 » Sat Mar 01, 2014 1:22 am

1 Replies

3096 Views

Last post by support_vasp
Thu Sep 12, 2024 7:20 am
parities of wavefunctions

Last post by support_vasp « Thu Sep 12, 2024 7:19 am
Replies: 1
by ranjit.phy » Thu Jun 19, 2014 1:14 pm

1 Replies

3007 Views

Last post by support_vasp
Thu Sep 12, 2024 7:19 am
orbital moments from hybrid functional

Last post by support_vasp « Thu Sep 12, 2024 7:19 am
Replies: 1
by wen » Fri Aug 16, 2013 1:24 am

1 Replies

2699 Views

Last post by support_vasp
Thu Sep 12, 2024 7:19 am
van der Waals force-field parameters C6 are NOT defined

Last post by support_vasp « Thu Sep 12, 2024 7:19 am
Replies: 1
by jjhskang » Fri Nov 30, 2012 6:16 am

1 Replies

3149 Views

Last post by support_vasp
Thu Sep 12, 2024 7:19 am
TDDFT in vasp.5.3.3?

Last post by support_vasp « Thu Sep 12, 2024 7:19 am
Replies: 1
by dekoning » Thu Sep 12, 2013 4:51 pm

1 Replies

3760 Views

Last post by support_vasp
Thu Sep 12, 2024 7:19 am
DOS

Last post by support_vasp « Thu Sep 12, 2024 7:19 am
Replies: 1
by sharma » Wed Sep 21, 2011 6:13 am

1 Replies

3047 Views

Last post by support_vasp
Thu Sep 12, 2024 7:19 am
question about ISMEAR tag in INCAR

Last post by support_vasp « Thu Sep 12, 2024 7:18 am
Replies: 1
by sillymuyuer » Thu Jan 19, 2012 12:10 am

1 Replies

3422 Views

Last post by support_vasp
Thu Sep 12, 2024 7:18 am
difference in different version of POTCARs

Last post by support_vasp « Thu Sep 12, 2024 7:18 am
Replies: 1
by qiangzhu » Fri Jun 14, 2013 6:30 pm

1 Replies

3122 Views

Last post by support_vasp
Thu Sep 12, 2024 7:18 am
orbital polarization correction in VASP

Last post by support_vasp « Thu Sep 12, 2024 7:18 am
Replies: 1
by wen » Fri Aug 16, 2013 1:12 am

1 Replies

2943 Views

Last post by support_vasp
Thu Sep 12, 2024 7:18 am
About non-collinear energy calculations

Last post by support_vasp « Thu Sep 12, 2024 7:18 am
Replies: 1
by liuhuimeiwoo » Sat May 04, 2013 9:20 am

1 Replies

3133 Views

Last post by support_vasp
Thu Sep 12, 2024 7:18 am

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