Using VASP

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convergence problem in scf

Last post by support_vasp « Wed Sep 11, 2024 2:34 pm
Replies: 1
by umklapp » Tue Feb 01, 2011 8:51 pm

1 Replies

2628 Views

Last post by support_vasp
Wed Sep 11, 2024 2:34 pm
Spin-Orbit-Coupling matrix elements

Last post by support_vasp « Wed Sep 11, 2024 2:34 pm
Replies: 1
by popov74 » Mon Jan 31, 2011 5:25 pm

1 Replies

4375 Views

Last post by support_vasp
Wed Sep 11, 2024 2:34 pm
about constr_cell_relax.F

Last post by support_vasp « Wed Sep 11, 2024 2:34 pm
Replies: 1
by ntuxi » Fri Jan 14, 2011 5:19 am

1 Replies

3355 Views

Last post by support_vasp
Wed Sep 11, 2024 2:34 pm
HSE + SOC calculations

Last post by support_vasp « Wed Sep 11, 2024 2:33 pm
Replies: 1
by magnon963 » Wed Jan 12, 2011 5:55 am

1 Replies

3564 Views

Last post by support_vasp
Wed Sep 11, 2024 2:33 pm
Bloch state coefficient

Last post by support_vasp « Wed Sep 11, 2024 2:33 pm
Replies: 1
by spinkaust » Tue Jan 11, 2011 3:44 pm

1 Replies

2466 Views

Last post by support_vasp
Wed Sep 11, 2024 2:33 pm
Bloch state coefficient

Last post by support_vasp « Wed Sep 11, 2024 2:33 pm
Replies: 1
by spinkaust » Tue Jan 11, 2011 3:43 pm

1 Replies

2347 Views

Last post by support_vasp
Wed Sep 11, 2024 2:33 pm
optical calculation in VASP 5

Last post by support_vasp « Wed Sep 11, 2024 2:33 pm
Replies: 1
by tofu » Tue Jan 11, 2011 5:49 am

1 Replies

2879 Views

Last post by support_vasp
Wed Sep 11, 2024 2:33 pm
How to calculate the relativistic magnetic moment?

Last post by support_vasp « Wed Sep 11, 2024 2:33 pm
Replies: 1
by sharma » Tue Jan 11, 2011 5:49 am

1 Replies

2734 Views

Last post by support_vasp
Wed Sep 11, 2024 2:33 pm
Can I use VASP for Superlattice structures?

Last post by support_vasp « Wed Sep 11, 2024 2:33 pm
Replies: 1
by triratna » Fri Jan 07, 2011 7:16 am

1 Replies

2529 Views

Last post by support_vasp
Wed Sep 11, 2024 2:33 pm
problems with bandstructure calculations

Last post by support_vasp « Wed Sep 11, 2024 2:33 pm
Replies: 1
by Lilia Woods » Thu Jan 06, 2011 9:01 pm

1 Replies

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Last post by support_vasp
Wed Sep 11, 2024 2:33 pm
calculation procedure

Last post by support_vasp « Wed Sep 11, 2024 2:33 pm
Replies: 1
by satish2414 » Mon Jan 03, 2011 2:25 pm

1 Replies

2289 Views

Last post by support_vasp
Wed Sep 11, 2024 2:33 pm
ELF calculations

Last post by support_vasp « Wed Sep 11, 2024 2:32 pm
Replies: 1
by siberchicot » Mon Jan 03, 2011 10:43 am

1 Replies

3004 Views

Last post by support_vasp
Wed Sep 11, 2024 2:32 pm
GGA tag in HSE03/HSE06 Calculations

Last post by support_vasp « Wed Sep 11, 2024 2:32 pm
Replies: 1
by sankh » Sat Jan 01, 2011 7:39 pm

1 Replies

3055 Views

Last post by support_vasp
Wed Sep 11, 2024 2:32 pm
Could ELF be calculated at ICHARG = 11 after a as-converged static SCF sun?

Last post by support_vasp « Wed Sep 11, 2024 2:32 pm
Replies: 1
by cenwanglai » Tue Dec 14, 2010 7:51 am

1 Replies

3068 Views

Last post by support_vasp
Wed Sep 11, 2024 2:32 pm
meta-GGA(TPSS, rev-TPSS)

Last post by support_vasp « Wed Sep 11, 2024 2:32 pm
Replies: 1
by nabear » Tue Dec 14, 2010 2:17 am

1 Replies

3263 Views

Last post by support_vasp
Wed Sep 11, 2024 2:32 pm
DOSCAR from PROCAR

Last post by support_vasp « Wed Sep 11, 2024 2:32 pm
Replies: 1
by swarnakamal » Tue Dec 07, 2010 10:16 am

1 Replies

2554 Views

Last post by support_vasp
Wed Sep 11, 2024 2:32 pm
the unit of 'RCORE' in POTCAR and INCAR

Last post by support_vasp « Wed Sep 11, 2024 2:32 pm
Replies: 1
by fegg7502 » Mon Dec 06, 2010 1:54 am

1 Replies

3418 Views

Last post by support_vasp
Wed Sep 11, 2024 2:32 pm
k-points setting

Last post by support_vasp « Wed Sep 11, 2024 2:32 pm
Replies: 1
by yellowice » Thu Dec 02, 2010 2:53 am

1 Replies

2429 Views

Last post by support_vasp
Wed Sep 11, 2024 2:32 pm
FAST calculation

Last post by support_vasp « Wed Sep 11, 2024 2:32 pm
Replies: 1
by kmkumar » Mon Nov 29, 2010 4:07 pm

1 Replies

2800 Views

Last post by support_vasp
Wed Sep 11, 2024 2:32 pm
Need help to understand FORCES in OUTCAR file

Last post by support_vasp « Wed Sep 11, 2024 2:31 pm
Replies: 1
by babaleo » Wed Nov 24, 2010 6:45 pm

1 Replies

2881 Views

Last post by support_vasp
Wed Sep 11, 2024 2:31 pm

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