Using VASP

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NEB, transition metal oxide, spin multiplicity

Last post by support_vasp « Wed Sep 11, 2024 1:57 pm
Replies: 1
by dfcox » Mon Jan 12, 2009 3:33 pm

1 Replies

2850 Views

Last post by support_vasp
Wed Sep 11, 2024 1:57 pm
Berry phase calculation

Last post by support_vasp « Wed Sep 11, 2024 1:56 pm
Replies: 1
by azurezhang » Mon Jan 12, 2009 9:54 pm

1 Replies

1966 Views

Last post by support_vasp
Wed Sep 11, 2024 1:56 pm
pressure unity

Last post by support_vasp « Wed Sep 11, 2024 1:56 pm
Replies: 1
by rghomari » Fri Jan 09, 2009 10:46 pm

1 Replies

1969 Views

Last post by support_vasp
Wed Sep 11, 2024 1:56 pm
A query of "dangling bonds" calculation by using VASP

Last post by support_vasp « Wed Sep 11, 2024 1:56 pm
Replies: 1
by pang_qing » Fri Jan 09, 2009 1:37 pm

1 Replies

1924 Views

Last post by support_vasp
Wed Sep 11, 2024 1:56 pm
LDA+U hangs after POTLOK

Last post by support_vasp « Wed Sep 11, 2024 1:56 pm
Replies: 1
by marla » Sat Dec 27, 2008 8:28 pm

1 Replies

2252 Views

Last post by support_vasp
Wed Sep 11, 2024 1:56 pm
is the occupation not reliable in non-selfconsistent calculation

Last post by support_vasp « Wed Sep 11, 2024 1:56 pm
Replies: 1
by njuxyh » Tue Aug 05, 2008 12:52 pm

1 Replies

2006 Views

Last post by support_vasp
Wed Sep 11, 2024 1:56 pm
band structure calculation -- error reading file KPOINTS, line 4

Last post by support_vasp « Wed Sep 11, 2024 1:56 pm
Replies: 1
by socks » Mon Dec 01, 2008 9:59 am

1 Replies

3020 Views

Last post by support_vasp
Wed Sep 11, 2024 1:56 pm
force convergence : difficult to acheive for Y2Ti2O7

Last post by support_vasp « Wed Sep 11, 2024 1:56 pm
Replies: 1
by prithwish » Sat Nov 29, 2008 12:32 pm

1 Replies

4453 Views

Last post by support_vasp
Wed Sep 11, 2024 1:56 pm
dipolar correction

Last post by support_vasp « Wed Sep 11, 2024 1:55 pm
Replies: 1
by FLC » Wed Nov 26, 2008 12:10 pm

1 Replies

2037 Views

Last post by support_vasp
Wed Sep 11, 2024 1:55 pm
relative energy in charged system

Last post by support_vasp « Wed Sep 11, 2024 1:55 pm
Replies: 1
by TMAC » Mon Nov 24, 2008 2:43 am

1 Replies

2214 Views

Last post by support_vasp
Wed Sep 11, 2024 1:55 pm
ERROR: there must be 1 or 3 items on line 2 of POSCAR

Last post by support_vasp « Wed Sep 11, 2024 1:55 pm
Replies: 1
by cosmos » Fri Sep 26, 2008 6:17 am

1 Replies

5080 Views

Last post by support_vasp
Wed Sep 11, 2024 1:55 pm
about high pressure calculation

Last post by support_vasp « Wed Sep 11, 2024 1:55 pm
Replies: 1
by GUAN » Mon Nov 17, 2008 5:12 am

1 Replies

2401 Views

Last post by support_vasp
Wed Sep 11, 2024 1:55 pm
reaction parameters

Last post by support_vasp « Wed Sep 11, 2024 1:55 pm
Replies: 1
by chemical02 » Fri Sep 19, 2008 4:52 pm

1 Replies

1967 Views

Last post by support_vasp
Wed Sep 11, 2024 1:55 pm
some problems about NUPDOWN

Last post by support_vasp « Wed Sep 11, 2024 1:55 pm
Replies: 1
by linglin » Wed Nov 12, 2008 6:07 am

1 Replies

2032 Views

Last post by support_vasp
Wed Sep 11, 2024 1:55 pm
neb results analysis

Last post by support_vasp « Wed Sep 11, 2024 1:55 pm
Replies: 1
by lanjh » Wed Apr 09, 2008 7:52 am

1 Replies

2367 Views

Last post by support_vasp
Wed Sep 11, 2024 1:55 pm
Suspicious energy and eigenvalue for complex-valued wavefunction

Last post by support_vasp « Wed Sep 11, 2024 1:54 pm
Replies: 1
by zhouf » Tue Dec 23, 2008 9:01 pm

1 Replies

2044 Views

Last post by support_vasp
Wed Sep 11, 2024 1:54 pm
Lande' g-factor

Last post by support_vasp « Wed Sep 11, 2024 1:54 pm
Replies: 1
by igor » Thu May 24, 2007 7:31 am

1 Replies

3200 Views

Last post by support_vasp
Wed Sep 11, 2024 1:54 pm
enthalpy versus pressure

Last post by support_vasp « Wed Sep 11, 2024 1:54 pm
Replies: 1
by linhe19802003 » Tue Dec 23, 2008 7:22 am

1 Replies

2103 Views

Last post by support_vasp
Wed Sep 11, 2024 1:54 pm
including electric dipole field in the calculation

Last post by support_vasp « Wed Sep 11, 2024 1:49 pm
Replies: 1
by puspamitra » Tue Nov 11, 2008 8:24 pm

1 Replies

2096 Views

Last post by support_vasp
Wed Sep 11, 2024 1:49 pm
Wurtzite structure help

Last post by support_vasp « Wed Sep 11, 2024 1:49 pm
Replies: 1
by dwan » Sun Nov 09, 2008 8:34 pm

1 Replies

3291 Views

Last post by support_vasp
Wed Sep 11, 2024 1:49 pm

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