Using VASP

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Entropy

Last post by bandy « Sat Sep 16, 2006 7:05 am
Replies: 1
by Natasha Galea » Mon Sep 11, 2006 10:16 pm

1 Replies

7200 Views

Last post by bandy
Sat Sep 16, 2006 7:05 am
ternary alloy slab model

Last post by admin « Wed Sep 13, 2006 10:30 am
Replies: 1
by bandy » Mon Sep 11, 2006 7:31 pm

1 Replies

5728 Views

Last post by admin
Wed Sep 13, 2006 10:30 am
Contribution of each atom to total energy-- is it possible ?

Last post by cpp6f « Fri Sep 08, 2006 1:11 pm
Replies: 1
by soumendu » Fri Sep 08, 2006 5:56 am

1 Replies

6039 Views

Last post by cpp6f
Fri Sep 08, 2006 1:11 pm
supercell problem

Last post by bandy « Thu Sep 07, 2006 6:48 pm
Replies: 1
by medivh » Thu Sep 07, 2006 1:01 pm

1 Replies

5739 Views

Last post by bandy
Thu Sep 07, 2006 6:48 pm
problem using PAW

Last post by pradhan « Thu Sep 07, 2006 7:02 am
Replies: 2
by pradhan » Mon Aug 14, 2006 12:44 pm

2 Replies

6623 Views

Last post by pradhan
Thu Sep 07, 2006 7:02 am
lattice parameter problem

Last post by admin « Wed Sep 06, 2006 10:35 am
Replies: 1
by Jiaye Li » Sat Sep 02, 2006 3:21 am

1 Replies

5216 Views

Last post by admin
Wed Sep 06, 2006 10:35 am
how to obtain accurate result for non-magenetic free atom energy

Last post by admin « Wed Sep 06, 2006 10:25 am
Replies: 2
by TING QIN » Tue Aug 15, 2006 11:10 am

2 Replies

6193 Views

Last post by admin
Wed Sep 06, 2006 10:25 am
hard and soft pseudopotential

Last post by admin « Wed Sep 06, 2006 9:44 am
Replies: 1
by bandy » Thu Aug 24, 2006 9:50 pm

1 Replies

6554 Views

Last post by admin
Wed Sep 06, 2006 9:44 am
NVT MD

Last post by graeme « Fri Sep 01, 2006 5:37 pm
Replies: 3
by acharyachethan » Thu Jun 01, 2006 2:54 pm

3 Replies

12741 Views

Last post by graeme
Fri Sep 01, 2006 5:37 pm
Large DOS calculations

Last post by cpp6f « Fri Aug 25, 2006 2:35 pm
Replies: 3
by elj » Wed Aug 23, 2006 12:22 pm

3 Replies

8398 Views

Last post by cpp6f
Fri Aug 25, 2006 2:35 pm
DOS of cluster

Last post by admin « Thu Aug 24, 2006 2:03 pm
Replies: 1
by jialy_25 » Tue Aug 15, 2006 2:39 am

1 Replies

6018 Views

Last post by admin
Thu Aug 24, 2006 2:03 pm
Saving time with NEB

Last post by graeme « Thu Aug 17, 2006 2:14 pm
Replies: 1
by Tyx » Thu Aug 17, 2006 1:22 pm

1 Replies

5095 Views

Last post by graeme
Thu Aug 17, 2006 2:14 pm
SYMMETRIC SLAB

Last post by grassman « Mon Aug 14, 2006 7:50 pm
Replies: 3
by bandy » Thu Aug 10, 2006 5:48 pm

3 Replies

7775 Views

Last post by grassman
Mon Aug 14, 2006 7:50 pm
Zero Point energy

Last post by tjf « Mon Aug 14, 2006 10:20 am
Replies: 1
by des » Sun Aug 13, 2006 9:11 pm

1 Replies

6486 Views

Last post by tjf
Mon Aug 14, 2006 10:20 am
SURFACE CONSTRUCTION

Last post by konglt « Fri Aug 11, 2006 6:29 pm
Replies: 2
by bandy » Thu Aug 10, 2006 6:01 pm

2 Replies

6623 Views

Last post by konglt
Fri Aug 11, 2006 6:29 pm
bulk modulus

Last post by wdv « Thu Aug 10, 2006 4:43 pm
Replies: 1
by loschen » Mon Aug 07, 2006 2:54 pm

1 Replies

5994 Views

Last post by wdv
Thu Aug 10, 2006 4:43 pm
Vibration calculation - Increased computer time

Last post by tjf « Thu Aug 10, 2006 12:32 pm
Replies: 3
by forsdan » Wed Aug 09, 2006 8:01 am

3 Replies

7267 Views

Last post by tjf
Thu Aug 10, 2006 12:32 pm
Dipole correction and forces

Last post by admin « Thu Aug 10, 2006 11:07 am
Replies: 1
by Vlad » Tue Aug 08, 2006 5:36 pm

1 Replies

5802 Views

Last post by admin
Thu Aug 10, 2006 11:07 am
Question on total energy of free atom.

Last post by admin « Thu Aug 10, 2006 10:53 am
Replies: 4
by lahaye » Mon Aug 07, 2006 5:09 am

4 Replies

8397 Views

Last post by admin
Thu Aug 10, 2006 10:53 am
SCF convergence

Last post by admin « Thu Aug 10, 2006 9:44 am
Replies: 3
by neeti » Tue Aug 01, 2006 3:20 pm

3 Replies

8115 Views

Last post by admin
Thu Aug 10, 2006 9:44 am

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