Using VASP

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question of triplet or singlet oxygen molecule calculation

Last post by support_vasp « Wed Sep 11, 2024 1:43 pm
Replies: 1
by himmelliebe » Thu Mar 20, 2008 5:53 am

1 Replies

2561 Views

Last post by support_vasp
Wed Sep 11, 2024 1:43 pm
spin-orbit in VASP

Last post by support_vasp « Wed Sep 11, 2024 1:42 pm
Replies: 1
by bth20 » Fri Mar 14, 2008 9:01 am

1 Replies

1635 Views

Last post by support_vasp
Wed Sep 11, 2024 1:42 pm
About magnetic anisotropy calculation

Last post by support_vasp « Wed Sep 11, 2024 1:42 pm
Replies: 1
by skythinker » Sat May 10, 2008 2:48 am

1 Replies

2133 Views

Last post by support_vasp
Wed Sep 11, 2024 1:42 pm
Spin-polarized calculations: theory

Last post by support_vasp « Wed Sep 11, 2024 1:42 pm
Replies: 1
by krihen » Fri May 09, 2008 8:37 am

1 Replies

1520 Views

Last post by support_vasp
Wed Sep 11, 2024 1:42 pm
Local DOS evaluated at off-atom position

Last post by support_vasp « Wed Sep 11, 2024 1:42 pm
Replies: 1
by schmidtj1 » Wed Apr 23, 2008 8:16 pm

1 Replies

1976 Views

Last post by support_vasp
Wed Sep 11, 2024 1:42 pm
IMAGES RELAXATION

Last post by support_vasp « Wed Sep 11, 2024 1:42 pm
Replies: 1
by Eduard » Tue Apr 22, 2008 4:06 pm

1 Replies

1797 Views

Last post by support_vasp
Wed Sep 11, 2024 1:42 pm
How can I calculate band gap

Last post by support_vasp « Wed Sep 11, 2024 1:42 pm
Replies: 1
by lvchen » Thu Nov 29, 2007 5:04 am

1 Replies

2296 Views

Last post by support_vasp
Wed Sep 11, 2024 1:42 pm
Pd d band vacancies

Last post by support_vasp « Wed Sep 11, 2024 1:42 pm
Replies: 1
by phoudha » Fri Oct 05, 2007 2:48 pm

1 Replies

2119 Views

Last post by support_vasp
Wed Sep 11, 2024 1:42 pm
K-Points for Stepped 111 surface calculation

Last post by support_vasp « Wed Sep 11, 2024 1:42 pm
Replies: 1
by hh » Thu Oct 04, 2007 10:21 am

1 Replies

2649 Views

Last post by support_vasp
Wed Sep 11, 2024 1:42 pm
A Strange Convergence Problem

Last post by support_vasp « Wed Sep 11, 2024 1:41 pm
Replies: 1
by suza » Thu Jan 31, 2008 3:48 pm

1 Replies

1435 Views

Last post by support_vasp
Wed Sep 11, 2024 1:41 pm
transition state core-level shifts

Last post by support_vasp « Wed Sep 11, 2024 1:41 pm
Replies: 1
by marko » Tue Jan 29, 2008 1:38 pm

1 Replies

2187 Views

Last post by support_vasp
Wed Sep 11, 2024 1:41 pm
truncating of CHGCAR

Last post by support_vasp « Wed Sep 11, 2024 1:41 pm
Replies: 1
by Borninger » Fri Jan 25, 2008 12:14 pm

1 Replies

1521 Views

Last post by support_vasp
Wed Sep 11, 2024 1:41 pm
ask some questions about vasp

Last post by support_vasp « Wed Sep 11, 2024 1:41 pm
Replies: 1
by lqxcts » Wed Mar 19, 2008 10:53 am

1 Replies

1739 Views

Last post by support_vasp
Wed Sep 11, 2024 1:41 pm
LDIPOL tag for asymmetric slab

Last post by support_vasp « Wed Sep 11, 2024 1:41 pm
Replies: 1
by vaspbegin » Wed Mar 12, 2008 10:05 am

1 Replies

2443 Views

Last post by support_vasp
Wed Sep 11, 2024 1:41 pm
How can I calculate silicon strain effect at [001] direction and [111]direction?

Last post by support_vasp « Wed Sep 11, 2024 1:41 pm
Replies: 1
by awdfu » Mon Mar 10, 2008 7:07 am

1 Replies

1684 Views

Last post by support_vasp
Wed Sep 11, 2024 1:41 pm
Crystal Building Program

Last post by support_vasp « Wed Sep 11, 2024 1:41 pm
Replies: 1
by tak » Sun Feb 24, 2008 10:26 pm

1 Replies

1773 Views

Last post by support_vasp
Wed Sep 11, 2024 1:41 pm
Electrostatic Potential for Na, K Rb weolite systems

Last post by support_vasp « Wed Sep 11, 2024 1:40 pm
Replies: 1
by pmignon » Fri Feb 22, 2008 10:34 am

1 Replies

2958 Views

Last post by support_vasp
Wed Sep 11, 2024 1:40 pm
Potential

Last post by support_vasp « Wed Sep 11, 2024 1:40 pm
Replies: 1
by chizmesh » Sun Dec 02, 2007 6:15 am

1 Replies

1999 Views

Last post by support_vasp
Wed Sep 11, 2024 1:40 pm
How to plot band decomposed chargedensity for spin up and down ?

Last post by support_vasp « Wed Sep 11, 2024 1:40 pm
Replies: 1
by chorawut » Tue Oct 09, 2007 3:02 am

1 Replies

1685 Views

Last post by support_vasp
Wed Sep 11, 2024 1:40 pm
How to fix this problem about Berry phase calculation ?

Last post by support_vasp « Wed Sep 11, 2024 1:40 pm
Replies: 1
by chorawut » Sat Aug 04, 2007 7:26 pm

1 Replies

1840 Views

Last post by support_vasp
Wed Sep 11, 2024 1:40 pm

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