Using VASP

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molecular dynamics in VASP

Last post by whzhang « Mon Mar 12, 2007 9:41 am
Replies: 4
by whzhang » Wed Feb 07, 2007 10:49 am

4 Replies

6058 Views

Last post by whzhang
Mon Mar 12, 2007 9:41 am
SPRING-ISPRING

Last post by mgarcia « Fri Mar 09, 2007 3:06 pm
Replies: 3
by mgarcia » Tue Jan 02, 2007 3:00 pm

3 Replies

3702 Views

Last post by mgarcia
Fri Mar 09, 2007 3:06 pm
Submit error

Last post by Jiaye Li « Fri Mar 09, 2007 8:20 am
Replies: 5
by Jiaye Li » Mon Feb 26, 2007 1:46 am

5 Replies

4756 Views

Last post by Jiaye Li
Fri Mar 09, 2007 8:20 am
why the topmost empty bands are never get optimized correctly

Last post by admin « Fri Mar 09, 2007 8:17 am
Replies: 5
by yilmaz » Mon Mar 05, 2007 3:54 pm

5 Replies

4396 Views

Last post by admin
Fri Mar 09, 2007 8:17 am
RWIGS and PAW

Last post by aarondesk « Thu Mar 08, 2007 4:18 pm
Replies: 2
by aarondesk » Mon Mar 05, 2007 11:31 pm

2 Replies

3061 Views

Last post by aarondesk
Thu Mar 08, 2007 4:18 pm
error in calculating band structure

Last post by admin « Thu Mar 08, 2007 10:16 am
Replies: 1
by superyoyo » Wed Mar 07, 2007 7:20 pm

1 Replies

2690 Views

Last post by admin
Thu Mar 08, 2007 10:16 am
STM image of Graphene

Last post by admin « Thu Mar 08, 2007 10:12 am
Replies: 2
by lahaye » Thu Mar 08, 2007 1:46 am

2 Replies

4069 Views

Last post by admin
Thu Mar 08, 2007 10:12 am
how to calculate dipole moment

Last post by admin « Thu Mar 08, 2007 10:03 am
Replies: 1
by lanjh » Sun Mar 04, 2007 9:06 am

1 Replies

2794 Views

Last post by admin
Thu Mar 08, 2007 10:03 am
"WARNING: stress and forces are not correct"

Last post by admin « Thu Mar 08, 2007 10:01 am
Replies: 4
by opvu » Tue Jul 18, 2006 6:31 am

4 Replies

9767 Views

Last post by admin
Thu Mar 08, 2007 10:01 am
Fermi energy of semiconductor

Last post by admin « Thu Mar 08, 2007 9:59 am
Replies: 2
by simly » Thu Mar 01, 2007 2:35 am

2 Replies

4532 Views

Last post by admin
Thu Mar 08, 2007 9:59 am
solid

Last post by admin « Thu Mar 08, 2007 9:50 am
Replies: 1
by kanhere » Tue Feb 27, 2007 4:44 pm

1 Replies

2666 Views

Last post by admin
Thu Mar 08, 2007 9:50 am
could you provide some examples for calculating CNT?

Last post by admin « Thu Mar 08, 2007 9:38 am

by admin » Thu Mar 08, 2007 9:38 am

0 Replies

2317 Views

Last post by admin
Thu Mar 08, 2007 9:38 am
about the RWIGS tag when calculating PDOS

Last post by admin « Thu Mar 08, 2007 8:30 am
Replies: 1
by lanjh » Thu Mar 08, 2007 2:05 am

1 Replies

2970 Views

Last post by admin
Thu Mar 08, 2007 8:30 am
Plotting DFT single particle orbitals

Last post by admin « Thu Mar 08, 2007 8:27 am
Replies: 3
by enrique » Thu Feb 15, 2007 8:57 pm

3 Replies

4101 Views

Last post by admin
Thu Mar 08, 2007 8:27 am
spd- and site projected wave function character ?

Last post by admin « Thu Mar 08, 2007 8:24 am
Replies: 1
by lahaye » Fri Feb 23, 2007 6:08 am

1 Replies

3788 Views

Last post by admin
Thu Mar 08, 2007 8:24 am
...DIPOL Flag in Berry`s phase calculations...

Last post by admin « Thu Mar 08, 2007 8:21 am
Replies: 1
by brocks » Tue Feb 13, 2007 5:14 pm

1 Replies

3506 Views

Last post by admin
Thu Mar 08, 2007 8:21 am
Optical properties for metals.

Last post by admin « Thu Mar 08, 2007 8:13 am
Replies: 1
by angie » Mon Feb 12, 2007 3:15 pm

1 Replies

2987 Views

Last post by admin
Thu Mar 08, 2007 8:13 am
Optimization of charged unit cell

Last post by admin « Thu Mar 08, 2007 8:12 am
Replies: 1
by Alenushka » Tue Jan 30, 2007 3:56 pm

1 Replies

4693 Views

Last post by admin
Thu Mar 08, 2007 8:12 am
tangential force in TST calculation

Last post by admin « Thu Mar 08, 2007 7:59 am
Replies: 1
by dido » Mon Jan 29, 2007 9:17 pm

1 Replies

2510 Views

Last post by admin
Thu Mar 08, 2007 7:59 am
how to avoid "WARNING " in relaxation

Last post by dtrinkle « Sat Mar 03, 2007 12:15 am
Replies: 1
by kanhere » Tue Feb 27, 2007 4:21 pm

1 Replies

4747 Views

Last post by dtrinkle
Sat Mar 03, 2007 12:15 am

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