Using VASP

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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

3747 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

7318 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

2693 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

2484 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

5186 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

2437 Views

Last post by admin
Fri Oct 10, 2008 12:33 pm
error in Berry phase calculation

Last post by lieshan « Thu Oct 09, 2008 6:40 am
Replies: 2
by zhongshanluo » Wed Oct 24, 2007 11:42 am

2 Replies

2285 Views

Last post by lieshan
Thu Oct 09, 2008 6:40 am
magnetic moment

Last post by admin « Wed Oct 08, 2008 12:19 pm
Replies: 1
by linglin » Wed Oct 08, 2008 9:58 am

1 Replies

1947 Views

Last post by admin
Wed Oct 08, 2008 12:19 pm
Berry phase

Last post by admin « Tue Oct 07, 2008 2:36 pm
Replies: 3
by Amritendu » Tue Jun 24, 2008 3:14 pm

3 Replies

2779 Views

Last post by admin
Tue Oct 07, 2008 2:36 pm
Atomic Energy of P

Last post by admin « Tue Oct 07, 2008 2:31 pm
Replies: 3
by Oscar_rp » Mon Oct 06, 2008 2:58 pm

3 Replies

2255 Views

Last post by admin
Tue Oct 07, 2008 2:31 pm
Bulk silver - lattice constant calculations

Last post by admin « Tue Oct 07, 2008 2:19 pm
Replies: 1
by physicalattraction » Mon Oct 06, 2008 3:48 pm

1 Replies

3708 Views

Last post by admin
Tue Oct 07, 2008 2:19 pm
convergence problem in vasp.4.6.35

Last post by deltz « Sun Oct 05, 2008 8:31 am
Replies: 1
by deltz » Thu Oct 02, 2008 12:00 pm

1 Replies

1848 Views

Last post by deltz
Sun Oct 05, 2008 8:31 am
Total charge

Last post by forsdan « Fri Oct 03, 2008 9:54 pm
Replies: 1
by jhlee » Fri Oct 03, 2008 9:36 pm

1 Replies

1857 Views

Last post by forsdan
Fri Oct 03, 2008 9:54 pm
Technical question with P%PSPRNL and P%WPS

Last post by ykent « Thu Oct 02, 2008 9:46 pm
Replies: 1
by ykent » Thu Oct 02, 2008 8:26 pm

1 Replies

1572 Views

Last post by ykent
Thu Oct 02, 2008 9:46 pm
Bulk moduli

Last post by forsdan « Wed Oct 01, 2008 4:39 pm
Replies: 3
by goja25 » Tue Sep 30, 2008 2:12 pm

3 Replies

3732 Views

Last post by forsdan
Wed Oct 01, 2008 4:39 pm
Ex,Ec instead of Exc

Last post by admin « Fri Sep 26, 2008 12:03 pm
Replies: 1
by Eduard » Fri Sep 26, 2008 9:39 am

1 Replies

1992 Views

Last post by admin
Fri Sep 26, 2008 12:03 pm
about nudged elastic band method?

Last post by rzhuang « Fri Sep 26, 2008 2:10 am
Replies: 2
by rzhuang » Thu Sep 25, 2008 3:02 am

2 Replies

1855 Views

Last post by rzhuang
Fri Sep 26, 2008 2:10 am
IDIPOL=4

Last post by Agalya « Thu Sep 25, 2008 9:45 pm
Replies: 2
by Agalya » Thu Aug 07, 2008 4:57 pm

2 Replies

2521 Views

Last post by Agalya
Thu Sep 25, 2008 9:45 pm
Alpha Z

Last post by admin « Thu Sep 25, 2008 9:42 am
Replies: 1
by physicsdude » Fri Sep 19, 2008 10:51 pm

1 Replies

2130 Views

Last post by admin
Thu Sep 25, 2008 9:42 am
Is it possible to calculate surface polarity using Berry phase calculations

Last post by fatihgsen « Wed Sep 24, 2008 8:54 pm
Replies: 2
by fatihgsen » Tue Sep 09, 2008 9:17 pm

2 Replies

2720 Views

Last post by fatihgsen
Wed Sep 24, 2008 8:54 pm

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