Using VASP

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For HSE06 calculation, should I use ISIF=2 instead of 3 ?

Last post by support_vasp « Wed Sep 11, 2024 2:40 pm
Replies: 1
by Minki » Mon Jun 27, 2011 9:11 pm

1 Replies

2917 Views

Last post by support_vasp
Wed Sep 11, 2024 2:40 pm
wannier90

Last post by support_vasp « Wed Sep 11, 2024 2:40 pm
Replies: 1
by Sifimid » Thu Jul 30, 2009 11:42 am

1 Replies

3376 Views

Last post by support_vasp
Wed Sep 11, 2024 2:40 pm
Spin-orbit and magnetization component

Last post by support_vasp « Wed Sep 11, 2024 2:40 pm
Replies: 1
by brsahu » Fri May 22, 2009 7:24 pm

1 Replies

3551 Views

Last post by support_vasp
Wed Sep 11, 2024 2:40 pm
Tortional rigidity

Last post by support_vasp « Wed Sep 11, 2024 2:40 pm
Replies: 1
by monoj » Tue Dec 01, 2009 1:33 pm

1 Replies

3111 Views

Last post by support_vasp
Wed Sep 11, 2024 2:40 pm
Berry phase term in vasp5.2

Last post by support_vasp « Wed Sep 11, 2024 2:40 pm
Replies: 1
by jzzhao » Wed Jan 27, 2010 1:33 am

1 Replies

3271 Views

Last post by support_vasp
Wed Sep 11, 2024 2:40 pm
problem in calculating polarization with Berry Phase in large slab

Last post by support_vasp « Wed Sep 11, 2024 2:39 pm
Replies: 1
by KurtG » Mon Apr 26, 2010 8:10 am

1 Replies

3151 Views

Last post by support_vasp
Wed Sep 11, 2024 2:39 pm
higher precision on EIGENVAL values and spin-orbit splitting

Last post by support_vasp « Wed Sep 11, 2024 2:39 pm
Replies: 1
by cosmos » Mon Jul 27, 2009 5:08 am

1 Replies

2710 Views

Last post by support_vasp
Wed Sep 11, 2024 2:39 pm
Ionization Potential - strange results

Last post by support_vasp « Wed Sep 11, 2024 2:39 pm
Replies: 1
by aarondesk » Wed Jul 23, 2008 2:46 am

1 Replies

5087 Views

Last post by support_vasp
Wed Sep 11, 2024 2:39 pm
Young Modulus

Last post by support_vasp « Wed Sep 11, 2024 2:39 pm
Replies: 1
by skonar » Mon Nov 30, 2009 1:11 pm

1 Replies

3086 Views

Last post by support_vasp
Wed Sep 11, 2024 2:39 pm
Spin-orbit calculation warning

Last post by support_vasp « Wed Sep 11, 2024 2:39 pm
Replies: 1
by leostorm10 » Wed Apr 06, 2011 10:21 am

1 Replies

2955 Views

Last post by support_vasp
Wed Sep 11, 2024 2:39 pm
FCC 110 surface POSCAR

Last post by support_vasp « Wed Sep 11, 2024 2:39 pm
Replies: 1
by namorykeita » Wed Apr 06, 2011 2:47 am

1 Replies

3488 Views

Last post by support_vasp
Wed Sep 11, 2024 2:39 pm
Displacement drawing

Last post by support_vasp « Wed Sep 11, 2024 2:39 pm
Replies: 1
by mgrumski76 » Wed Apr 06, 2011 2:45 am

1 Replies

2627 Views

Last post by support_vasp
Wed Sep 11, 2024 2:39 pm
NUPDOWN constraint not holding...

Last post by support_vasp « Wed Sep 11, 2024 2:38 pm
Replies: 1
by pdalach » Tue Apr 05, 2011 12:02 am

1 Replies

3200 Views

Last post by support_vasp
Wed Sep 11, 2024 2:38 pm
Questions about adding electrcial field to the System.

Last post by support_vasp « Wed Sep 11, 2024 2:38 pm
Replies: 1
by VASP001 » Tue Mar 29, 2011 10:57 am

1 Replies

2938 Views

Last post by support_vasp
Wed Sep 11, 2024 2:38 pm
Questions about the tag ISYM in calculation including SOC

Last post by support_vasp « Wed Sep 11, 2024 2:38 pm
Replies: 1
by junwei » Sun Apr 03, 2011 3:24 am

1 Replies

3598 Views

Last post by support_vasp
Wed Sep 11, 2024 2:38 pm
Physical meaning of Spin-Orbit-Coupling matrix elements

Last post by support_vasp « Wed Sep 11, 2024 2:38 pm
Replies: 1
by CMG » Tue Mar 29, 2011 3:37 am

1 Replies

3849 Views

Last post by support_vasp
Wed Sep 11, 2024 2:38 pm
DOS of silica

Last post by support_vasp « Wed Sep 11, 2024 2:38 pm
Replies: 1
by maxiao » Mon Mar 28, 2011 11:20 pm

1 Replies

2609 Views

Last post by support_vasp
Wed Sep 11, 2024 2:38 pm
self consistent convergence problem

Last post by support_vasp « Wed Sep 11, 2024 2:38 pm
Replies: 1
by leostorm10 » Wed Mar 23, 2011 12:02 pm

1 Replies

3090 Views

Last post by support_vasp
Wed Sep 11, 2024 2:38 pm
EIGENVAL k-point locations incorrect

Last post by support_vasp « Wed Sep 11, 2024 2:38 pm
Replies: 1
by gwr » Tue Mar 22, 2011 2:52 am

1 Replies

3138 Views

Last post by support_vasp
Wed Sep 11, 2024 2:38 pm
charged slab calculation

Last post by support_vasp « Wed Sep 11, 2024 2:38 pm
Replies: 1
by yellowice » Mon Mar 07, 2011 8:49 am

1 Replies

6759 Views

Last post by support_vasp
Wed Sep 11, 2024 2:38 pm

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