Using VASP

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Job Restarts : ICHARG = 0 | 1

Last post by support_vasp « Wed Sep 11, 2024 1:35 pm
Replies: 1
by Sinner » Thu Oct 18, 2007 1:32 pm

1 Replies

1943 Views

Last post by support_vasp
Wed Sep 11, 2024 1:35 pm
electronic convergence

Last post by support_vasp « Wed Sep 11, 2024 1:35 pm
Replies: 1
by spintron » Wed Oct 17, 2007 8:18 pm

1 Replies

1556 Views

Last post by support_vasp
Wed Sep 11, 2024 1:35 pm
cluster expansion approach(CEA) vs extended cluster model (ECM)

Last post by support_vasp « Wed Sep 11, 2024 1:35 pm
Replies: 1
by bandy » Wed Oct 17, 2007 3:50 am

1 Replies

1656 Views

Last post by support_vasp
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pseudo core density

Last post by support_vasp « Wed Sep 11, 2024 1:35 pm
Replies: 1
by ssharifz » Thu Jun 14, 2007 3:53 pm

1 Replies

1948 Views

Last post by support_vasp
Wed Sep 11, 2024 1:35 pm
On PROCAR file with LORBIT= 10

Last post by support_vasp « Wed Sep 11, 2024 1:35 pm
Replies: 1
by centauris » Sun Oct 14, 2007 4:33 pm

1 Replies

1814 Views

Last post by support_vasp
Wed Sep 11, 2024 1:35 pm
How to set the DIPOL in the Berry phase calculation

Last post by support_vasp « Wed Sep 11, 2024 1:35 pm
Replies: 1
by hbushubiao » Thu Oct 11, 2007 10:27 am

1 Replies

1899 Views

Last post by support_vasp
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KPOINTS

Last post by support_vasp « Wed Sep 11, 2024 1:35 pm
Replies: 1
by TAT » Thu Oct 11, 2007 1:31 am

1 Replies

1545 Views

Last post by support_vasp
Wed Sep 11, 2024 1:35 pm
running error

Last post by support_vasp « Wed Sep 11, 2024 1:34 pm
Replies: 1
by Jiaye Li » Mon Jun 11, 2007 6:49 am

1 Replies

2250 Views

Last post by support_vasp
Wed Sep 11, 2024 1:34 pm
Stress Strain plots vary with system size

Last post by support_vasp « Wed Sep 11, 2024 1:34 pm
Replies: 1
by dilpuneet » Thu Sep 20, 2007 9:19 pm

1 Replies

2356 Views

Last post by support_vasp
Wed Sep 11, 2024 1:34 pm
CO LUMO-HOMO gap in GGA+U

Last post by support_vasp « Wed Sep 11, 2024 1:34 pm
Replies: 1
by zhzeng » Thu Sep 20, 2007 7:57 am

1 Replies

2080 Views

Last post by support_vasp
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Problem calculating atomic Br

Last post by support_vasp « Wed Sep 11, 2024 1:34 pm
Replies: 1
by dcurulla » Wed Sep 19, 2007 10:20 pm

1 Replies

1981 Views

Last post by support_vasp
Wed Sep 11, 2024 1:34 pm
Lattice parameters of ZnO

Last post by support_vasp « Wed Sep 11, 2024 1:34 pm
Replies: 1
by vaspman » Wed Sep 19, 2007 3:00 am

1 Replies

1924 Views

Last post by support_vasp
Wed Sep 11, 2024 1:34 pm
charged defect with setting NELECT

Last post by support_vasp « Wed Sep 11, 2024 1:34 pm
Replies: 1
by okuno » Mon Jul 09, 2007 1:57 pm

1 Replies

2758 Views

Last post by support_vasp
Wed Sep 11, 2024 1:34 pm
How to get ionization potential?

Last post by support_vasp « Wed Sep 11, 2024 1:34 pm
Replies: 1
by baoailin » Wed Feb 28, 2007 11:52 am

1 Replies

2720 Views

Last post by support_vasp
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questionable total drift of charged system

Last post by support_vasp « Wed Sep 11, 2024 1:33 pm
Replies: 1
by kutu » Tue May 01, 2007 12:00 am

1 Replies

2012 Views

Last post by support_vasp
Wed Sep 11, 2024 1:33 pm
Problem relaxation Dipole correction

Last post by support_vasp « Wed Sep 11, 2024 1:33 pm
Replies: 1
by Damien » Fri Sep 07, 2007 7:45 am

1 Replies

2123 Views

Last post by support_vasp
Wed Sep 11, 2024 1:33 pm
How to get the interacion of two atoms?

Last post by support_vasp « Wed Sep 11, 2024 1:33 pm
Replies: 1
by xfh » Thu Apr 26, 2007 1:49 am

1 Replies

1847 Views

Last post by support_vasp
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Charged systems

Last post by support_vasp « Wed Sep 11, 2024 1:33 pm
Replies: 1
by srcalvo » Tue Apr 24, 2007 3:58 pm

1 Replies

2011 Views

Last post by support_vasp
Wed Sep 11, 2024 1:33 pm
problem with Berry phase, calculation of Born effective charge

Last post by support_vasp « Wed Sep 11, 2024 1:32 pm
Replies: 1
by aakbarz » Sun Apr 22, 2007 4:41 pm

1 Replies

2490 Views

Last post by support_vasp
Wed Sep 11, 2024 1:32 pm
How to determine Raman tensor by using VASP ?

Last post by support_vasp « Wed Sep 11, 2024 1:32 pm
Replies: 1
by chorawut » Wed Jun 27, 2007 8:47 am

1 Replies

2938 Views

Last post by support_vasp
Wed Sep 11, 2024 1:32 pm

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