Using VASP

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Negative value in CHGCAR for Si bulk scf calculation

Last post by support_vasp « Wed Sep 11, 2024 2:24 pm
Replies: 1
by brsahu » Tue Jun 01, 2010 3:36 pm

1 Replies

2991 Views

Last post by support_vasp
Wed Sep 11, 2024 2:24 pm
working on graphene sheet using VASP

Last post by support_vasp « Wed Sep 11, 2024 2:23 pm
Replies: 1
by Isha » Thu Jul 15, 2010 9:30 am

1 Replies

2587 Views

Last post by support_vasp
Wed Sep 11, 2024 2:23 pm
problem relaxing

Last post by support_vasp « Wed Sep 11, 2024 2:23 pm
Replies: 1
by bp249507 » Thu Apr 29, 2010 5:07 am

1 Replies

2560 Views

Last post by support_vasp
Wed Sep 11, 2024 2:23 pm
PAW potential

Last post by support_vasp « Wed Sep 11, 2024 2:23 pm
Replies: 1
by jan » Thu Jul 31, 2008 9:38 pm

1 Replies

3598 Views

Last post by support_vasp
Wed Sep 11, 2024 2:23 pm
I got confused about the LDA-potential

Last post by support_vasp « Wed Sep 11, 2024 2:23 pm
Replies: 1
by MDrizzle » Thu Jul 31, 2008 9:05 am

1 Replies

3011 Views

Last post by support_vasp
Wed Sep 11, 2024 2:23 pm
How to generate the intermediate points in NEB?

Last post by support_vasp « Wed Sep 11, 2024 2:23 pm
Replies: 1
by jglee » Tue Mar 10, 2009 9:01 am

1 Replies

2829 Views

Last post by support_vasp
Wed Sep 11, 2024 2:23 pm
Mismatch in PROCAR and PARCHG

Last post by support_vasp « Wed Sep 11, 2024 2:23 pm
Replies: 1
by sjh_lapw » Tue Mar 10, 2009 5:36 am

1 Replies

3188 Views

Last post by support_vasp
Wed Sep 11, 2024 2:23 pm
...electronic polarization with Berry-phase....

Last post by support_vasp « Wed Sep 11, 2024 2:23 pm
Replies: 1
by brocks » Fri Jul 20, 2007 9:03 am

1 Replies

4378 Views

Last post by support_vasp
Wed Sep 11, 2024 2:23 pm
It is possible using vasp to simulate the mechanical properties?

Last post by support_vasp « Wed Sep 11, 2024 2:22 pm
Replies: 1
by fanghz » Thu May 21, 2009 2:04 am

1 Replies

3319 Views

Last post by support_vasp
Wed Sep 11, 2024 2:22 pm
steps of bulk calculation to determine the optimized parameters

Last post by support_vasp « Wed Sep 11, 2024 2:22 pm
Replies: 1
by gump_813 » Sun Mar 08, 2009 8:35 am

1 Replies

3044 Views

Last post by support_vasp
Wed Sep 11, 2024 2:22 pm
Core Level Shifts / XPS -- experience with quaility of results?

Last post by support_vasp « Wed Sep 11, 2024 2:22 pm
Replies: 1
by janh » Mon Dec 01, 2008 6:36 pm

1 Replies

3496 Views

Last post by support_vasp
Wed Sep 11, 2024 2:22 pm
Macroscopic polarization calculation (LCALCPOL = .TRUE.)

Last post by support_vasp « Wed Sep 11, 2024 2:21 pm
Replies: 1
by ynwu » Wed Aug 04, 2010 6:34 pm

1 Replies

3641 Views

Last post by support_vasp
Wed Sep 11, 2024 2:21 pm
outcar file in NEB calculations

Last post by support_vasp « Wed Sep 11, 2024 2:21 pm
Replies: 1
by castella » Mon Aug 02, 2010 6:34 pm

1 Replies

3582 Views

Last post by support_vasp
Wed Sep 11, 2024 2:21 pm
convergence problem

Last post by support_vasp « Wed Sep 11, 2024 2:21 pm
Replies: 1
by zhu » Sun Aug 01, 2010 10:59 am

1 Replies

2719 Views

Last post by support_vasp
Wed Sep 11, 2024 2:21 pm
Effect of External Electric Field on Equilibrium Geometries and Dissociation Barriers.

Last post by support_vasp « Wed Sep 11, 2024 2:20 pm
Replies: 1
by Sharani » Thu Jul 29, 2010 7:06 pm

1 Replies

2939 Views

Last post by support_vasp
Wed Sep 11, 2024 2:20 pm
About PCDAT?

Last post by support_vasp « Wed Sep 11, 2024 2:20 pm
Replies: 1
by xfh00 » Thu Jul 29, 2010 3:53 am

1 Replies

3055 Views

Last post by support_vasp
Wed Sep 11, 2024 2:20 pm
I have a question about DOSCAR file

Last post by support_vasp « Wed Sep 11, 2024 2:20 pm
Replies: 1
by sonandok » Thu Jul 29, 2010 2:32 am

1 Replies

2992 Views

Last post by support_vasp
Wed Sep 11, 2024 2:20 pm
how to get spin information in parcharge file?

Last post by support_vasp « Wed Sep 11, 2024 2:20 pm
Replies: 1
by ntuxi » Wed Jul 28, 2010 8:49 am

1 Replies

3085 Views

Last post by support_vasp
Wed Sep 11, 2024 2:20 pm
Dielectric matrix and LDA+U

Last post by support_vasp « Wed Sep 11, 2024 2:20 pm
Replies: 1
by Piekarz » Sat Jun 05, 2010 1:08 pm

1 Replies

3022 Views

Last post by support_vasp
Wed Sep 11, 2024 2:20 pm
problems with the convergence of Pt atom

Last post by support_vasp « Wed Sep 11, 2024 2:20 pm
Replies: 1
by saubanere » Fri Jun 04, 2010 4:52 pm

1 Replies

2749 Views

Last post by support_vasp
Wed Sep 11, 2024 2:20 pm

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