Using VASP

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bulk modulus

Last post by forsdan « Thu Oct 23, 2008 2:24 pm
Replies: 3
by goja25 » Wed Oct 22, 2008 2:53 pm

3 Replies

9699 Views

Last post by forsdan
Thu Oct 23, 2008 2:24 pm
what does a negative magnetic moment mean in vasp?

Last post by yllovelife « Thu Oct 23, 2008 1:44 pm
Replies: 2
by yllovelife » Tue Oct 21, 2008 2:45 pm

2 Replies

4814 Views

Last post by yllovelife
Thu Oct 23, 2008 1:44 pm
strange occupation

Last post by admin « Thu Oct 23, 2008 10:20 am
Replies: 5
by deltz » Mon Oct 20, 2008 8:45 am

5 Replies

4763 Views

Last post by admin
Thu Oct 23, 2008 10:20 am
Oxygen dimer

Last post by admin « Thu Oct 23, 2008 10:12 am
Replies: 1
by wipper » Wed Oct 22, 2008 11:53 am

1 Replies

3341 Views

Last post by admin
Thu Oct 23, 2008 10:12 am
MD

Last post by admin « Thu Oct 23, 2008 10:04 am
Replies: 3
by fegg7502 » Fri Oct 17, 2008 2:16 am

3 Replies

3691 Views

Last post by admin
Thu Oct 23, 2008 10:04 am
Spin polarized calculations

Last post by magal « Wed Oct 22, 2008 11:08 am
Replies: 2
by magal » Thu Oct 16, 2008 7:33 am

2 Replies

5438 Views

Last post by magal
Wed Oct 22, 2008 11:08 am
Temperature and energy

Last post by admin « Wed Oct 22, 2008 8:44 am
Replies: 3
by Danny » Mon Oct 20, 2008 3:19 pm

3 Replies

4963 Views

Last post by admin
Wed Oct 22, 2008 8:44 am
partial charge

Last post by admin « Wed Oct 22, 2008 8:23 am
Replies: 3
by rudra-b » Mon Oct 13, 2008 4:25 am

3 Replies

4838 Views

Last post by admin
Wed Oct 22, 2008 8:23 am
core level shifts and average electrostatic potential at each ion

Last post by Jiaye Li « Wed Oct 22, 2008 1:57 am
Replies: 2
by Jiaye Li » Fri Oct 17, 2008 9:13 am

2 Replies

5221 Views

Last post by Jiaye Li
Wed Oct 22, 2008 1:57 am
Question about band structure calculation

Last post by chenweiguang « Mon Oct 20, 2008 1:12 pm
Replies: 2
by chenweiguang » Mon Oct 20, 2008 11:14 am

2 Replies

4042 Views

Last post by chenweiguang
Mon Oct 20, 2008 1:12 pm
Force relaxation and its dependence on EDIFF

Last post by admin « Mon Oct 20, 2008 11:31 am
Replies: 1
by simha » Fri Oct 17, 2008 12:06 pm

1 Replies

3883 Views

Last post by admin
Mon Oct 20, 2008 11:31 am
how to setup the k-points path in a supercell model for the band structure calculation?

Last post by chenweiguang « Mon Oct 20, 2008 10:19 am
Replies: 1
by oxylum » Thu Apr 26, 2007 4:42 am

1 Replies

3680 Views

Last post by chenweiguang
Mon Oct 20, 2008 10:19 am
jellium background

Last post by crazyweed « Thu Oct 16, 2008 5:11 pm
Replies: 1
by crazyweed » Thu Sep 25, 2008 10:24 pm

1 Replies

4429 Views

Last post by crazyweed
Thu Oct 16, 2008 5:11 pm
MD calculations

Last post by fegg7502 « Thu Oct 16, 2008 12:45 pm
Replies: 2
by fegg7502 » Thu Oct 16, 2008 9:37 am

2 Replies

3357 Views

Last post by fegg7502
Thu Oct 16, 2008 12:45 pm
Adding a charge?

Last post by Jiaye Li « Thu Oct 16, 2008 7:45 am
Replies: 3
by Jiaye Li » Thu Oct 09, 2008 4:01 am

3 Replies

5732 Views

Last post by Jiaye Li
Thu Oct 16, 2008 7:45 am
STM simulation

Last post by Danny « Wed Oct 15, 2008 9:24 pm
Replies: 6
by vasplover » Wed Sep 10, 2008 7:29 pm

6 Replies

10288 Views

Last post by Danny
Wed Oct 15, 2008 9:24 pm
core state eigenenergies

Last post by admin « Wed Oct 15, 2008 9:54 am
Replies: 3
by rgc » Thu Oct 02, 2008 2:29 pm

3 Replies

4668 Views

Last post by admin
Wed Oct 15, 2008 9:54 am
average electrostatic potential at the core does not converge

Last post by admin « Wed Oct 15, 2008 9:14 am
Replies: 1
by fzj » Mon Oct 13, 2008 1:38 am

1 Replies

3806 Views

Last post by admin
Wed Oct 15, 2008 9:14 am
How to calculate the stress tensor ?

Last post by admin « Tue Oct 14, 2008 2:12 pm
Replies: 3
by fanghz » Fri Oct 10, 2008 7:38 am

3 Replies

7378 Views

Last post by admin
Tue Oct 14, 2008 2:12 pm
Can direct coordinates be nagative? CONTCAR shows it

Last post by admin « Fri Oct 10, 2008 12:33 pm
Replies: 1
by simha » Fri Oct 10, 2008 9:41 am

1 Replies

3822 Views

Last post by admin
Fri Oct 10, 2008 12:33 pm

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