Using VASP

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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

1474 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

1123 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

1715 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

1077 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

1051 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

811 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

3116 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

1345 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

910 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

1623 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

1459 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

1564 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

1338 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

1446 Views

Last post by support_vasp
Wed Sep 11, 2024 2:35 pm
Plotting of band strucure

Last post by support_vasp « Wed Sep 11, 2024 2:35 pm
Replies: 1
by surabhi_so_mh » Tue Jan 18, 2011 5:26 am

1 Replies

994 Views

Last post by support_vasp
Wed Sep 11, 2024 2:35 pm
PROCAR with spin-orbit

Last post by support_vasp « Wed Sep 11, 2024 2:34 pm
Replies: 1
by spakinfo » Sat Jan 15, 2011 2:45 pm

1 Replies

1478 Views

Last post by support_vasp
Wed Sep 11, 2024 2:34 pm
Warning: RLIMIT_MEMLOCK is 32768 bytes

Last post by support_vasp « Wed Sep 11, 2024 2:34 pm
Replies: 1
by kambiz » Thu Feb 10, 2011 4:07 am

1 Replies

1790 Views

Last post by support_vasp
Wed Sep 11, 2024 2:34 pm
Bandstructure/DOS

Last post by support_vasp « Wed Sep 11, 2024 2:34 pm
Replies: 1
by gsrikanth248 » Mon Feb 07, 2011 5:08 pm

1 Replies

979 Views

Last post by support_vasp
Wed Sep 11, 2024 2:34 pm
How to run a calculation with hybrid functionals using B3PW91?

Last post by support_vasp « Wed Sep 11, 2024 2:34 pm
Replies: 1
by swen » Fri Feb 04, 2011 3:06 pm

1 Replies

1208 Views

Last post by support_vasp
Wed Sep 11, 2024 2:34 pm
convergence problem in scf

Last post by support_vasp « Wed Sep 11, 2024 2:34 pm
Replies: 1
by umklapp » Tue Feb 01, 2011 8:51 pm

1 Replies

1192 Views

Last post by support_vasp
Wed Sep 11, 2024 2:34 pm

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