Using VASP

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Reproduction of NaF BECT at p.88 in the vasp5.2 manual

Last post by support_vasp « Wed Sep 11, 2024 2:37 pm
Replies: 1
by kjt0314 » Fri Feb 25, 2011 7:39 am

1 Replies

2814 Views

Last post by support_vasp
Wed Sep 11, 2024 2:37 pm
structure relaxation problem

Last post by support_vasp « Wed Sep 11, 2024 2:37 pm
Replies: 1
by andy » Thu Feb 24, 2011 7:52 am

1 Replies

3009 Views

Last post by support_vasp
Wed Sep 11, 2024 2:37 pm
question about magnetic anisotropy

Last post by support_vasp « Wed Sep 11, 2024 2:37 pm
Replies: 1
by He Kaihua » Sat Mar 19, 2011 6:45 am

1 Replies

3284 Views

Last post by support_vasp
Wed Sep 11, 2024 2:37 pm
LDIPOL = TRUE is needed for Neutral slab system?

Last post by support_vasp « Wed Sep 11, 2024 2:37 pm
Replies: 1
by cenwanglai » Sat Mar 19, 2011 1:46 am

1 Replies

3231 Views

Last post by support_vasp
Wed Sep 11, 2024 2:37 pm
GGA_COMPAT

Last post by support_vasp « Wed Sep 11, 2024 2:37 pm
Replies: 1
by NuriAlco » Tue Mar 15, 2011 11:23 pm

1 Replies

3459 Views

Last post by support_vasp
Wed Sep 11, 2024 2:37 pm
some problems about Band decomposed chargedensity

Last post by support_vasp « Wed Sep 11, 2024 2:36 pm
Replies: 1
by xinhuanwen » Mon Mar 14, 2011 2:00 am

1 Replies

2827 Views

Last post by support_vasp
Wed Sep 11, 2024 2:36 pm
b3lyp calculation

Last post by support_vasp « Wed Sep 11, 2024 2:36 pm
Replies: 1
by a.mavr » Sun Mar 13, 2011 3:22 pm

1 Replies

3464 Views

Last post by support_vasp
Wed Sep 11, 2024 2:36 pm
dielectric tensor

Last post by support_vasp « Wed Sep 11, 2024 2:36 pm
Replies: 1
by lamoen » Wed Feb 23, 2011 8:49 am

1 Replies

3095 Views

Last post by support_vasp
Wed Sep 11, 2024 2:36 pm
Imaginary Dielectric Constant of Silicon

Last post by support_vasp « Wed Sep 11, 2024 2:36 pm
Replies: 1
by Vahid Askarpour » Sat Feb 19, 2011 7:21 pm

1 Replies

3834 Views

Last post by support_vasp
Wed Sep 11, 2024 2:36 pm
Dipol corrections seem too big

Last post by support_vasp « Wed Sep 11, 2024 2:36 pm
Replies: 1
by CStar » Thu Feb 17, 2011 7:40 pm

1 Replies

3023 Views

Last post by support_vasp
Wed Sep 11, 2024 2:36 pm
dipole moment

Last post by support_vasp « Wed Sep 11, 2024 2:36 pm
Replies: 1
by apple » Thu Feb 17, 2011 5:49 pm

1 Replies

3013 Views

Last post by support_vasp
Wed Sep 11, 2024 2:36 pm
Energy of graphene sheet

Last post by support_vasp « Wed Sep 11, 2024 2:36 pm
Replies: 1
by Micah » Wed Feb 16, 2011 9:08 pm

1 Replies

2565 Views

Last post by support_vasp
Wed Sep 11, 2024 2:36 pm
isosurface level in VESTA

Last post by support_vasp « Wed Sep 11, 2024 2:35 pm
Replies: 1
by bmb3166 » Tue Feb 15, 2011 6:54 pm

1 Replies

5505 Views

Last post by support_vasp
Wed Sep 11, 2024 2:35 pm
Problems with graphane band structure

Last post by support_vasp « Wed Sep 11, 2024 2:35 pm
Replies: 1
by thecht » Tue Feb 15, 2011 3:09 pm

1 Replies

3205 Views

Last post by support_vasp
Wed Sep 11, 2024 2:35 pm
rotational invariance in single atom

Last post by support_vasp « Wed Sep 11, 2024 2:35 pm
Replies: 1
by zhouf » Mon Feb 14, 2011 9:58 pm

1 Replies

2824 Views

Last post by support_vasp
Wed Sep 11, 2024 2:35 pm
order of occupancies in density matrix

Last post by support_vasp « Wed Sep 11, 2024 2:35 pm
Replies: 1
by umklapp » Mon Feb 14, 2011 5:05 pm

1 Replies

3487 Views

Last post by support_vasp
Wed Sep 11, 2024 2:35 pm
Surface Dipole moment

Last post by support_vasp « Wed Sep 11, 2024 2:35 pm
Replies: 1
by Oscar_rp » Fri Feb 11, 2011 10:45 am

1 Replies

3296 Views

Last post by support_vasp
Wed Sep 11, 2024 2:35 pm
Transmittance, Reflectance coefficients and Refractive index

Last post by support_vasp « Wed Sep 11, 2024 2:35 pm
Replies: 1
by sankh » Sat Jan 29, 2011 12:46 am

1 Replies

3544 Views

Last post by support_vasp
Wed Sep 11, 2024 2:35 pm
Band decomposed charge density with spin orbit coupling

Last post by support_vasp « Wed Sep 11, 2024 2:35 pm
Replies: 1
by hchen » Thu Jan 27, 2011 7:16 pm

1 Replies

3356 Views

Last post by support_vasp
Wed Sep 11, 2024 2:35 pm
Born effective charge calculation with spin-orbit

Last post by support_vasp « Wed Sep 11, 2024 2:35 pm
Replies: 1
by leostorm10 » Wed Jan 19, 2011 3:59 am

1 Replies

3293 Views

Last post by support_vasp
Wed Sep 11, 2024 2:35 pm

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