Using VASP

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residual force for EDIFFG < 0

Last post by tjf « Thu Apr 27, 2006 10:41 am
Replies: 1
by okuno » Thu Apr 27, 2006 6:27 am

1 Replies

11352 Views

Last post by tjf
Thu Apr 27, 2006 10:41 am
4f in Hf-Au pseudopotentials

Last post by admin « Wed Apr 26, 2006 1:19 pm
Replies: 1
by Tiger-paw » Thu Apr 13, 2006 4:03 pm

1 Replies

7721 Views

Last post by admin
Wed Apr 26, 2006 1:19 pm
how to use Harris Foulkes Function in calculation?

Last post by admin « Wed Apr 26, 2006 1:08 pm

by admin » Wed Apr 26, 2006 1:08 pm

0 Replies

6252 Views

Last post by admin
Wed Apr 26, 2006 1:08 pm
augmentation part

Last post by admin « Wed Apr 26, 2006 11:58 am
Replies: 1
by Charles W. Bauschlicher » Fri Apr 21, 2006 9:55 pm

1 Replies

8297 Views

Last post by admin
Wed Apr 26, 2006 11:58 am
STM image plot

Last post by admin « Wed Apr 26, 2006 10:48 am
Replies: 1
by bandy » Sun Apr 23, 2006 6:21 pm

1 Replies

8567 Views

Last post by admin
Wed Apr 26, 2006 10:48 am
Spin Polarisation

Last post by admin « Wed Apr 26, 2006 10:33 am
Replies: 1
by hu007 » Tue Apr 25, 2006 9:48 pm

1 Replies

7248 Views

Last post by admin
Wed Apr 26, 2006 10:33 am
Groundstate Structure determination

Last post by admin « Wed Apr 26, 2006 10:25 am
Replies: 3
by bruent » Wed Jun 29, 2005 5:40 am

3 Replies

11378 Views

Last post by admin
Wed Apr 26, 2006 10:25 am
calculation problems

Last post by admin « Wed Apr 26, 2006 10:21 am
Replies: 1
by hehui » Tue Apr 18, 2006 6:50 am

1 Replies

8069 Views

Last post by admin
Wed Apr 26, 2006 10:21 am
Eu - convergence problem

Last post by admin « Wed Apr 26, 2006 10:05 am
Replies: 1
by user » Mon Apr 17, 2006 3:04 pm

1 Replies

7800 Views

Last post by admin
Wed Apr 26, 2006 10:05 am
water modes nodes

Last post by admin « Wed Apr 26, 2006 9:41 am
Replies: 1
by ranea@hertz.rad.nd.edu » Mon Apr 10, 2006 6:23 pm

1 Replies

8396 Views

Last post by admin
Wed Apr 26, 2006 9:41 am
Fermi Energy

Last post by admin « Tue Apr 11, 2006 1:45 pm

by admin » Tue Apr 11, 2006 1:45 pm

0 Replies

6490 Views

Last post by admin
Tue Apr 11, 2006 1:45 pm
NELECT problem

Last post by admin « Tue Apr 11, 2006 1:13 pm
Replies: 2
by kongfei77 » Tue Apr 04, 2006 2:36 pm

2 Replies

13801 Views

Last post by admin
Tue Apr 11, 2006 1:13 pm
LREAL flag

Last post by admin « Tue Apr 11, 2006 1:07 pm
Replies: 1
by lmiao » Fri Mar 31, 2006 3:13 am

1 Replies

8416 Views

Last post by admin
Tue Apr 11, 2006 1:07 pm
Spin Polarized Band Structure

Last post by Veronika « Mon Apr 03, 2006 9:01 am
Replies: 1
by stucke » Sun Apr 02, 2006 11:07 pm

1 Replies

8258 Views

Last post by Veronika
Mon Apr 03, 2006 9:01 am
Adsorbate induced electric field

Last post by mhyman « Fri Mar 31, 2006 4:45 pm
Replies: 2
by mhyman » Thu Mar 30, 2006 9:22 pm

2 Replies

10128 Views

Last post by mhyman
Fri Mar 31, 2006 4:45 pm
ionic convergence problem

Last post by peterklaver « Fri Mar 31, 2006 11:08 am
Replies: 1
by peterklaver » Wed Mar 08, 2006 1:44 pm

1 Replies

9040 Views

Last post by peterklaver
Fri Mar 31, 2006 11:08 am
Non-SCF Calculation

Last post by admin « Tue Mar 28, 2006 10:47 am
Replies: 4
by aarondesk » Wed Mar 08, 2006 5:09 pm

4 Replies

16325 Views

Last post by admin
Tue Mar 28, 2006 10:47 am
equilibrium geometry - convergence

Last post by admin « Tue Mar 28, 2006 9:43 am
Replies: 3
by fabella » Mon Mar 06, 2006 6:41 pm

3 Replies

14231 Views

Last post by admin
Tue Mar 28, 2006 9:43 am
symmetry change upon ISIF=3

Last post by admin « Tue Mar 28, 2006 9:38 am
Replies: 5
by brsahu » Thu Mar 02, 2006 7:37 pm

5 Replies

16847 Views

Last post by admin
Tue Mar 28, 2006 9:38 am
surface scattering

Last post by phtobias « Sat Mar 25, 2006 3:49 pm
Replies: 5
by phtobias » Fri Mar 17, 2006 1:36 pm

5 Replies

14627 Views

Last post by phtobias
Sat Mar 25, 2006 3:49 pm

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