Using VASP

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supercell optimization using stress (only the 1 direction)????

Last post by konglt « Tue Oct 31, 2006 10:30 pm
Replies: 1
by jdasilva » Tue Oct 31, 2006 7:19 pm

1 Replies

2992 Views

Last post by konglt
Tue Oct 31, 2006 10:30 pm
calculate the dipole moment due to the external electric field

Last post by nis02002 « Thu Oct 26, 2006 7:14 pm
Replies: 2
by ning » Mon Aug 22, 2005 3:50 pm

2 Replies

5033 Views

Last post by nis02002
Thu Oct 26, 2006 7:14 pm
NTV-Zero point energy

Last post by graeme « Tue Oct 24, 2006 5:22 pm
Replies: 1
by yilmaz » Tue Oct 24, 2006 4:54 pm

1 Replies

3055 Views

Last post by graeme
Tue Oct 24, 2006 5:22 pm
negative magnetic moment

Last post by admin « Tue Oct 24, 2006 1:53 pm
Replies: 1
by zhuanghl » Mon Oct 23, 2006 3:37 pm

1 Replies

3031 Views

Last post by admin
Tue Oct 24, 2006 1:53 pm
Crystal structure optimization with ISIF=3

Last post by admin « Tue Oct 24, 2006 1:51 pm
Replies: 1
by okuno » Tue Oct 24, 2006 7:05 am

1 Replies

4368 Views

Last post by admin
Tue Oct 24, 2006 1:51 pm
Magmom settings with oxygen atoms on graphite

Last post by admin « Tue Oct 24, 2006 1:40 pm
Replies: 1
by lahaye » Tue Oct 24, 2006 11:47 am

1 Replies

4184 Views

Last post by admin
Tue Oct 24, 2006 1:40 pm
band structure plotting

Last post by brocks « Sat Oct 21, 2006 1:39 pm
Replies: 1
by mssb2 » Fri Oct 20, 2006 1:13 pm

1 Replies

3479 Views

Last post by brocks
Sat Oct 21, 2006 1:39 pm
vibration mode at Gamma

Last post by miaoms « Fri Oct 20, 2006 5:25 pm
Replies: 4
by miaoms » Wed Oct 11, 2006 4:36 pm

4 Replies

4020 Views

Last post by miaoms
Fri Oct 20, 2006 5:25 pm
Total drift

Last post by The Evasperator « Fri Oct 20, 2006 2:22 pm
Replies: 3
by The Evasperator » Wed Oct 18, 2006 9:11 pm

3 Replies

4238 Views

Last post by The Evasperator
Fri Oct 20, 2006 2:22 pm
question regarding integrated DOS.

Last post by applelinux « Thu Oct 19, 2006 10:28 pm
Replies: 2
by applelinux » Thu Oct 12, 2006 9:57 pm

2 Replies

3196 Views

Last post by applelinux
Thu Oct 19, 2006 10:28 pm
LDOS to compare with STM

Last post by brocks « Thu Oct 19, 2006 3:00 pm
Replies: 2
by brocks » Mon Oct 16, 2006 12:40 pm

2 Replies

5031 Views

Last post by brocks
Thu Oct 19, 2006 3:00 pm
Stress convergence

Last post by The Evasperator « Thu Oct 19, 2006 2:09 pm
Replies: 3
by The Evasperator » Wed Oct 18, 2006 9:49 pm

3 Replies

3915 Views

Last post by The Evasperator
Thu Oct 19, 2006 2:09 pm
gamma points only

Last post by admin « Thu Oct 19, 2006 10:49 am
Replies: 1
by metsue » Wed Oct 11, 2006 8:37 am

1 Replies

3189 Views

Last post by admin
Thu Oct 19, 2006 10:49 am
a question about the relax

Last post by admin « Thu Oct 19, 2006 10:45 am
Replies: 1
by yello » Mon Oct 09, 2006 5:27 am

1 Replies

2792 Views

Last post by admin
Thu Oct 19, 2006 10:45 am
Hi. Question about describing O2 molecule with different charges.

Last post by admin « Wed Oct 18, 2006 3:24 pm
Replies: 1
by Chan-Woo Lee » Wed Oct 04, 2006 7:17 pm

1 Replies

3564 Views

Last post by admin
Wed Oct 18, 2006 3:24 pm
LORBIT: What's the coordinate frame?

Last post by admin « Wed Oct 18, 2006 3:16 pm
Replies: 1
by hra » Wed Oct 04, 2006 2:41 pm

1 Replies

3271 Views

Last post by admin
Wed Oct 18, 2006 3:16 pm
Band structure calculating error

Last post by user « Wed Oct 18, 2006 4:11 am
Replies: 3
by anin » Tue Oct 17, 2006 12:29 pm

3 Replies

6046 Views

Last post by user
Wed Oct 18, 2006 4:11 am
Ce2O3 problem

Last post by alex « Mon Oct 16, 2006 1:55 pm
Replies: 6
by christine1201 » Thu Aug 31, 2006 9:19 am

6 Replies

7789 Views

Last post by alex
Mon Oct 16, 2006 1:55 pm
Why work function varies with SIGMA ?

Last post by des « Thu Oct 12, 2006 8:57 am
Replies: 2
by des » Mon Aug 21, 2006 9:45 pm

2 Replies

3632 Views

Last post by des
Thu Oct 12, 2006 8:57 am
Wigner-Seitz cell drawing program

Last post by job « Tue Oct 10, 2006 9:32 am
Replies: 1
by bandy » Tue Oct 10, 2006 3:33 am

1 Replies

3862 Views

Last post by job
Tue Oct 10, 2006 9:32 am

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