Using VASP

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decomposed charge density

Last post by Danny « Wed May 19, 2010 7:26 am
Replies: 1
by prlogan » Wed May 12, 2010 10:17 pm

1 Replies

1943 Views

Last post by Danny
Wed May 19, 2010 7:26 am
DYNMAT and hessian matrix

Last post by Danny « Wed May 19, 2010 7:12 am
Replies: 8
by Danny » Tue May 04, 2010 1:01 pm

8 Replies

8361 Views

Last post by Danny
Wed May 19, 2010 7:12 am
Please... help.. me

Last post by panda « Mon May 17, 2010 1:35 pm
Replies: 1
by jjkim » Sun May 16, 2010 11:58 pm

1 Replies

1059 Views

Last post by panda
Mon May 17, 2010 1:35 pm
A basic question about unitcell

Last post by jjkim « Sun May 16, 2010 10:39 am
Replies: 2
by jjkim » Sun May 16, 2010 7:32 am

2 Replies

1321 Views

Last post by jjkim
Sun May 16, 2010 10:39 am
Regarding spin-orbit calculation

Last post by jkg001 « Thu May 13, 2010 4:58 pm
Replies: 1
by soumendu » Tue Aug 05, 2008 11:25 am

1 Replies

2775 Views

Last post by jkg001
Thu May 13, 2010 4:58 pm
Total local potential

Last post by apple « Wed May 12, 2010 9:15 pm
Replies: 2
by apple » Wed May 12, 2010 7:48 pm

2 Replies

3350 Views

Last post by apple
Wed May 12, 2010 9:15 pm
Why there is "d" orbital for Carbon atom

Last post by forsdan « Wed May 12, 2010 11:14 am
Replies: 2
by zhuanghl » Mon May 10, 2010 3:14 pm

2 Replies

1468 Views

Last post by forsdan
Wed May 12, 2010 11:14 am
Energy difference

Last post by panda « Fri May 07, 2010 3:39 pm
Replies: 1
by guo,huaihong » Fri May 07, 2010 11:33 am

1 Replies

1225 Views

Last post by panda
Fri May 07, 2010 3:39 pm
Take a look, here are some important parameters which can improve parallelised calculation!

Last post by vasp16888 « Thu May 06, 2010 10:28 pm
Replies: 6
by vasp16888 » Mon May 03, 2010 10:51 pm

6 Replies

2808 Views

Last post by vasp16888
Thu May 06, 2010 10:28 pm
Convergence problem

Last post by vasp16888 « Thu May 06, 2010 10:22 pm
Replies: 19
by vasp16888 » Fri Apr 23, 2010 4:13 am
1

2
19 Replies

7953 Views

Last post by vasp16888
Thu May 06, 2010 10:22 pm
plot of charge density

Last post by Danny « Thu May 06, 2010 10:06 am
Replies: 4
by xgxu » Wed May 05, 2010 9:56 am

4 Replies

2964 Views

Last post by Danny
Thu May 06, 2010 10:06 am
hit a member that was already found in another star

Last post by panda « Wed May 05, 2010 6:19 pm
Replies: 4
by neo » Sat May 01, 2010 7:51 pm

4 Replies

2137 Views

Last post by panda
Wed May 05, 2010 6:19 pm
[color=red][b]Very weird problem[/b][/color] about K points convergence check

Last post by alex « Wed May 05, 2010 3:03 pm
Replies: 15
by vasp16888 » Fri Apr 23, 2010 11:25 pm
1

2
15 Replies

4937 Views

Last post by alex
Wed May 05, 2010 3:03 pm
Restarting a Hessian calculation

Last post by laurent.pedesseau « Wed May 05, 2010 7:31 am
Replies: 3
by Vlad » Wed Apr 21, 2010 1:39 am

3 Replies

1687 Views

Last post by laurent.pedesseau
Wed May 05, 2010 7:31 am
Phase factors in PROCAR

Last post by Hugo Strand « Tue May 04, 2010 1:51 pm
Replies: 2
by georg » Thu Jul 28, 2005 8:49 pm

2 Replies

4773 Views

Last post by Hugo Strand
Tue May 04, 2010 1:51 pm
IBRION=5 : from Hessian matrix to phonon dispersion; how?

Last post by Danny « Tue May 04, 2010 12:47 pm
Replies: 7
by lahaye » Thu Aug 03, 2006 6:13 am

7 Replies

6255 Views

Last post by Danny
Tue May 04, 2010 12:47 pm
How to improve parallelised calculation ?

Last post by vasp16888 « Mon May 03, 2010 11:10 pm
Replies: 12
by vasp16888 » Sun Apr 25, 2010 8:41 pm

12 Replies

4036 Views

Last post by vasp16888
Mon May 03, 2010 11:10 pm
Phonon Dispersion Problem

Last post by forsdan « Mon May 03, 2010 5:06 pm
Replies: 2
by w008egs » Sun May 02, 2010 7:44 pm

2 Replies

3879 Views

Last post by forsdan
Mon May 03, 2010 5:06 pm
Monoclinic cell parameters optimisation

Last post by naidu « Mon May 03, 2010 2:00 pm
Replies: 2
by naidu » Thu Apr 22, 2010 10:53 am

2 Replies

1450 Views

Last post by naidu
Mon May 03, 2010 2:00 pm
Differences in the Magnetic Moments of PAW_GGA and GGA

Last post by forsdan « Sun May 02, 2010 6:34 pm
Replies: 1
by gferguson » Wed Apr 28, 2010 2:22 pm

1 Replies

1362 Views

Last post by forsdan
Sun May 02, 2010 6:34 pm

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