Using VASP

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WARNING: grid for Broyden might be to small

Last post by support_vasp « Wed Sep 11, 2024 1:49 pm
Replies: 1
by hlzya » Fri Nov 07, 2008 11:20 pm

1 Replies

2673 Views

Last post by support_vasp
Wed Sep 11, 2024 1:49 pm
calculation for solution phase

Last post by support_vasp « Wed Sep 11, 2024 1:49 pm
Replies: 1
by mzzhou » Sun Nov 02, 2008 5:33 am

1 Replies

1980 Views

Last post by support_vasp
Wed Sep 11, 2024 1:49 pm
very slow electronic convergence for FeCrNi

Last post by support_vasp « Wed Sep 11, 2024 1:49 pm
Replies: 1
by peterklaver » Thu Oct 30, 2008 2:45 pm

1 Replies

2571 Views

Last post by support_vasp
Wed Sep 11, 2024 1:49 pm
Manipulating spin-orbit coupling

Last post by support_vasp « Wed Sep 11, 2024 1:49 pm
Replies: 1
by magal » Mon Oct 27, 2008 2:59 pm

1 Replies

2224 Views

Last post by support_vasp
Wed Sep 11, 2024 1:49 pm
LAPACK: Routine ZPOTRF failed!

Last post by support_vasp « Wed Sep 11, 2024 1:49 pm
Replies: 1
by okuno » Mon Oct 27, 2008 2:23 pm

1 Replies

2418 Views

Last post by support_vasp
Wed Sep 11, 2024 1:49 pm
Having a question about the PAW potential

Last post by support_vasp « Wed Sep 11, 2024 1:48 pm
Replies: 1
by MDrizzle » Mon Oct 27, 2008 1:00 am

1 Replies

2065 Views

Last post by support_vasp
Wed Sep 11, 2024 1:48 pm
What means th LUDCMP?

Last post by support_vasp « Wed Sep 11, 2024 1:48 pm
Replies: 1
by chlee » Wed Oct 15, 2008 9:53 pm

1 Replies

2625 Views

Last post by support_vasp
Wed Sep 11, 2024 1:48 pm
Partial Hydrogen

Last post by support_vasp « Wed Sep 11, 2024 1:48 pm
Replies: 1
by jebickel » Wed Oct 15, 2008 3:44 pm

1 Replies

2100 Views

Last post by support_vasp
Wed Sep 11, 2024 1:48 pm
Symmetry broken

Last post by support_vasp « Wed Sep 11, 2024 1:48 pm
Replies: 1
by aquleo » Thu Oct 02, 2008 7:35 am

1 Replies

2398 Views

Last post by support_vasp
Wed Sep 11, 2024 1:48 pm
trouble about spin-polarized structure relaxation calculation under electric field.

Last post by support_vasp « Wed Sep 11, 2024 1:48 pm
Replies: 1
by nus11 » Thu Oct 02, 2008 12:25 am

1 Replies

3312 Views

Last post by support_vasp
Wed Sep 11, 2024 1:48 pm
PDOS of Local axis

Last post by support_vasp « Wed Sep 11, 2024 1:48 pm
Replies: 1
by TMAC » Sat Sep 27, 2008 2:36 pm

1 Replies

2478 Views

Last post by support_vasp
Wed Sep 11, 2024 1:48 pm
Total magnetization after restart ...

Last post by support_vasp « Wed Sep 11, 2024 1:47 pm
Replies: 1
by icymist » Fri Sep 19, 2008 2:31 pm

1 Replies

2080 Views

Last post by support_vasp
Wed Sep 11, 2024 1:47 pm
pressure

Last post by support_vasp « Wed Sep 11, 2024 1:47 pm
Replies: 1
by chemical02 » Wed Sep 17, 2008 7:36 pm

1 Replies

2053 Views

Last post by support_vasp
Wed Sep 11, 2024 1:47 pm
Breaking of solvent molecules

Last post by support_vasp « Wed Sep 11, 2024 1:47 pm
Replies: 1
by helvetico » Wed Sep 17, 2008 2:35 pm

1 Replies

2302 Views

Last post by support_vasp
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Ion charge

Last post by support_vasp « Wed Sep 11, 2024 1:47 pm
Replies: 1
by wcwang » Sun Sep 14, 2008 7:01 pm

1 Replies

2150 Views

Last post by support_vasp
Wed Sep 11, 2024 1:47 pm
GGA+U in VASP

Last post by support_vasp « Wed Sep 11, 2024 1:47 pm
Replies: 1
by xwsha » Wed Sep 10, 2008 7:50 pm

1 Replies

2448 Views

Last post by support_vasp
Wed Sep 11, 2024 1:47 pm
How to find the lattice parameters for monoclinic?

Last post by support_vasp « Wed Sep 11, 2024 1:47 pm
Replies: 1
by magnones » Sat May 26, 2007 10:40 pm

1 Replies

3147 Views

Last post by support_vasp
Wed Sep 11, 2024 1:47 pm
How to caculate the dehydration process with MD

Last post by support_vasp « Wed Sep 11, 2024 1:47 pm
Replies: 1
by fegg7502 » Wed Oct 15, 2008 3:39 am

1 Replies

1952 Views

Last post by support_vasp
Wed Sep 11, 2024 1:47 pm
fat bands

Last post by support_vasp « Wed Sep 11, 2024 1:46 pm
Replies: 1
by Debbichi » Thu Jul 17, 2008 8:21 pm

1 Replies

2517 Views

Last post by support_vasp
Wed Sep 11, 2024 1:46 pm
What is Tr[quadrupol]?

Last post by support_vasp « Wed Sep 11, 2024 1:46 pm
Replies: 1
by zlch5 » Sat Jul 12, 2008 1:58 am

1 Replies

2362 Views

Last post by support_vasp
Wed Sep 11, 2024 1:46 pm

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