Using VASP

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monoclinic optimization

Last post by linglin « Sat Nov 01, 2008 3:11 am
Replies: 1
by linglin » Tue Oct 28, 2008 1:30 am

1 Replies

3721 Views

Last post by linglin
Sat Nov 01, 2008 3:11 am
electrostatic potential, LOCPOT values ?

Last post by rgc « Thu Oct 30, 2008 3:07 pm
Replies: 2
by pmignon » Tue Sep 26, 2006 2:42 pm

2 Replies

5633 Views

Last post by rgc
Thu Oct 30, 2008 3:07 pm
Visualization of surface unit cell.

Last post by Danny « Mon Oct 27, 2008 1:30 pm
Replies: 1
by Sharani » Fri Oct 24, 2008 3:46 am

1 Replies

4095 Views

Last post by Danny
Mon Oct 27, 2008 1:30 pm
how fixe the position of atoms

Last post by rghomari « Thu Oct 23, 2008 6:38 pm
Replies: 2
by rghomari » Wed Oct 22, 2008 11:42 pm

2 Replies

4405 Views

Last post by rghomari
Thu Oct 23, 2008 6:38 pm
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

11390 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

6094 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

6167 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

4114 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

4833 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

7038 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

6252 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

6068 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

6351 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

5060 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

4895 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

4711 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

5357 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

4323 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

6968 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

12373 Views

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

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