Using VASP

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How do I calculate lda+U with negative U?

Last post by support_vasp « Wed Sep 11, 2024 2:04 pm
Replies: 1
by leegeunsik » Mon Feb 04, 2008 10:59 pm

1 Replies

3826 Views

Last post by support_vasp
Wed Sep 11, 2024 2:04 pm
On the interpretation of the OUTCAR file from LDA+U with LDAUPRINT=1

Last post by support_vasp « Wed Sep 11, 2024 2:03 pm
Replies: 1
by joseph » Sat May 19, 2007 3:00 am

1 Replies

3844 Views

Last post by support_vasp
Wed Sep 11, 2024 2:03 pm
Question about MD & Static temperature

Last post by support_vasp « Wed Sep 11, 2024 2:03 pm
Replies: 1
by ninaj » Mon Feb 04, 2008 1:38 am

1 Replies

3284 Views

Last post by support_vasp
Wed Sep 11, 2024 2:03 pm
Geometry Optimization with LDA+U?

Last post by support_vasp « Wed Sep 11, 2024 2:03 pm
Replies: 1
by anin » Wed Apr 02, 2008 1:25 pm

1 Replies

3092 Views

Last post by support_vasp
Wed Sep 11, 2024 2:03 pm
LDA + U for different atoms in the same INCAR

Last post by support_vasp « Wed Sep 11, 2024 2:03 pm
Replies: 1
by giacomo giorgi » Wed May 20, 2009 2:54 am

1 Replies

3936 Views

Last post by support_vasp
Wed Sep 11, 2024 2:03 pm
help on phase diagrams

Last post by support_vasp « Wed Sep 11, 2024 2:03 pm
Replies: 1
by rajeshc » Sun Jun 14, 2009 1:04 am

1 Replies

2731 Views

Last post by support_vasp
Wed Sep 11, 2024 2:03 pm
converge problem of free atom energy calculation for Fe and Ni

Last post by support_vasp « Wed Sep 11, 2024 2:03 pm
Replies: 1
by tracy » Fri Jun 12, 2009 8:31 pm

1 Replies

4165 Views

Last post by support_vasp
Wed Sep 11, 2024 2:03 pm
a question on Hubbard model for Gd in Fe

Last post by support_vasp « Wed Sep 11, 2024 2:03 pm
Replies: 1
by prithwish » Sat Jun 06, 2009 6:48 am

1 Replies

2795 Views

Last post by support_vasp
Wed Sep 11, 2024 2:03 pm
How to set magnetic coupling for empty sphere?

Last post by support_vasp « Wed Sep 11, 2024 2:02 pm
Replies: 1
by aquleo » Thu Jun 04, 2009 4:18 am

1 Replies

2918 Views

Last post by support_vasp
Wed Sep 11, 2024 2:02 pm
version 5.2.2 IR spectrum simulation

Last post by support_vasp « Wed Sep 11, 2024 2:02 pm
Replies: 1
by jbaltrus » Sun May 31, 2009 3:04 am

1 Replies

3401 Views

Last post by support_vasp
Wed Sep 11, 2024 2:02 pm
About the KPUSE parameter in Band decomposed chargedensity

Last post by support_vasp « Wed Sep 11, 2024 2:02 pm
Replies: 1
by opvu » Wed May 27, 2009 1:07 pm

1 Replies

3272 Views

Last post by support_vasp
Wed Sep 11, 2024 2:02 pm
About band structure

Last post by support_vasp « Wed Sep 11, 2024 2:02 pm
Replies: 1
by kevinyoh » Thu Jun 05, 2008 10:49 am

1 Replies

2864 Views

Last post by support_vasp
Wed Sep 11, 2024 2:02 pm
OPTICAL PROERTY

Last post by support_vasp « Wed Sep 11, 2024 2:02 pm
Replies: 1
by pabitrac » Thu Jul 31, 2008 9:03 pm

1 Replies

2954 Views

Last post by support_vasp
Wed Sep 11, 2024 2:02 pm
band occupation for Germanium

Last post by support_vasp « Wed Sep 11, 2024 2:02 pm
Replies: 1
by giacomo giorgi » Mon May 25, 2009 3:21 pm

1 Replies

3410 Views

Last post by support_vasp
Wed Sep 11, 2024 2:02 pm
How to set POTIM in molecular dynamics simulations

Last post by support_vasp « Wed Sep 11, 2024 2:02 pm
Replies: 1
by fegg7502 » Wed May 13, 2009 2:57 am

1 Replies

2985 Views

Last post by support_vasp
Wed Sep 11, 2024 2:02 pm
How to set POTIM in molecular dynamics simulations

Last post by support_vasp « Wed Sep 11, 2024 2:01 pm
Replies: 1
by fegg7502 » Wed May 13, 2009 2:52 am

1 Replies

3118 Views

Last post by support_vasp
Wed Sep 11, 2024 2:01 pm
Silicon Band Structure around Gamma point

Last post by support_vasp « Wed Sep 11, 2024 2:01 pm
Replies: 1
by twendler » Mon May 11, 2009 6:09 pm

1 Replies

3764 Views

Last post by support_vasp
Wed Sep 11, 2024 2:01 pm
LDA+U for GaAs

Last post by support_vasp « Wed Sep 11, 2024 2:01 pm
Replies: 1
by giacomo giorgi » Mon May 11, 2009 12:27 pm

1 Replies

2683 Views

Last post by support_vasp
Wed Sep 11, 2024 2:01 pm
order of f orbitals in DOSCAR

Last post by support_vasp « Wed Sep 11, 2024 2:01 pm
Replies: 1
by wellsdm » Sat May 09, 2009 12:41 am

1 Replies

2789 Views

Last post by support_vasp
Wed Sep 11, 2024 2:01 pm
Restarting a job using the WAVECAR file

Last post by support_vasp « Wed Sep 11, 2024 2:01 pm
Replies: 1
by boris » Thu May 07, 2009 1:31 pm

1 Replies

2871 Views

Last post by support_vasp
Wed Sep 11, 2024 2:01 pm

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