Using VASP

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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

3676 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

3562 Views

Last post by support_vasp
Wed Sep 11, 2024 1:34 pm
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

2750 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

2958 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

2556 Views

Last post by support_vasp
Wed Sep 11, 2024 1:33 pm
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

2735 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

3320 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

3826 Views

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

Last post by support_vasp « Wed Sep 11, 2024 1:32 pm
Replies: 1
by brocks » Fri Apr 20, 2007 1:54 pm

1 Replies

3766 Views

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

Last post by support_vasp « Wed Sep 11, 2024 1:32 pm
Replies: 1
by mssb2 » Wed Apr 18, 2007 3:44 am

1 Replies

2892 Views

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

Last post by support_vasp « Wed Sep 11, 2024 1:32 pm
Replies: 1
by rajeshc » Thu Aug 30, 2007 1:44 pm

1 Replies

2770 Views

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

Last post by support_vasp « Wed Sep 11, 2024 1:32 pm
Replies: 1
by avan » Sat Apr 14, 2007 5:05 pm

1 Replies

3364 Views

Last post by support_vasp
Wed Sep 11, 2024 1:32 pm
diffusion C in Fe

Last post by support_vasp « Wed Sep 11, 2024 1:32 pm
Replies: 1
by bigdaddy » Fri Feb 09, 2007 2:35 pm

1 Replies

2954 Views

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

Last post by support_vasp « Wed Sep 11, 2024 1:31 pm
Replies: 1
by brocks » Mon Dec 11, 2006 3:32 pm

1 Replies

3644 Views

Last post by support_vasp
Wed Sep 11, 2024 1:31 pm
Lande g-factor

Last post by support_vasp « Wed Sep 11, 2024 1:31 pm
Replies: 1
by igor » Thu Feb 01, 2007 12:16 pm

1 Replies

3592 Views

Last post by support_vasp
Wed Sep 11, 2024 1:31 pm
LSDA+U and spin-orbit

Last post by support_vasp « Wed Sep 11, 2024 1:31 pm
Replies: 1
by salva » Tue Mar 27, 2007 9:15 pm

1 Replies

3710 Views

Last post by support_vasp
Wed Sep 11, 2024 1:31 pm
Electronic Convergence problem under External EFIELD

Last post by support_vasp « Wed Sep 11, 2024 1:31 pm
Replies: 1
by yilmaz » Mon Mar 26, 2007 12:23 am

1 Replies

3384 Views

Last post by support_vasp
Wed Sep 11, 2024 1:31 pm
Instantaneous temperature in NVT MD

Last post by support_vasp « Wed Sep 11, 2024 1:31 pm
Replies: 1
by acharyachethan » Fri Mar 23, 2007 1:38 am

1 Replies

3153 Views

Last post by support_vasp
Wed Sep 11, 2024 1:31 pm
Nose parameter in MD, I am helpless, is 100000 good or is 0.00001 better?

Last post by support_vasp « Wed Sep 11, 2024 1:31 pm
Replies: 1
by jhegedus » Wed Mar 21, 2007 6:04 pm

1 Replies

2801 Views

Last post by support_vasp
Wed Sep 11, 2024 1:31 pm
Could you help on calculating pressure in MD simulation?

Last post by support_vasp « Wed Sep 11, 2024 1:31 pm
Replies: 1
by jhegedus » Tue Mar 20, 2007 11:35 am

1 Replies

2793 Views

Last post by support_vasp
Wed Sep 11, 2024 1:31 pm

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