Using VASP

Moderators: Global Moderator, Moderator

New Topic

5339 topics

Page 182 of 267
- Jump to page:
Previous
1
…
180
181
182
183
184
…
267
Next

Topics

Replies

Views

Last post

Dipolar contribution to MAE

Last post by blazing « Wed Nov 09, 2011 12:35 pm
Replies: 2
by blazing » Mon Nov 07, 2011 9:20 pm

2 Replies

1290 Views

Last post by blazing
Wed Nov 09, 2011 12:35 pm
MD Simulation - Initial Velocity

Last post by Dr Vitaly V. G. Chaban « Wed Nov 09, 2011 6:07 am
Replies: 1
by kmkumar » Wed Nov 02, 2011 3:09 pm

1 Replies

2236 Views

Last post by Dr Vitaly V. G. Chaban
Wed Nov 09, 2011 6:07 am
bader charge analysis

Last post by Dr Vitaly V. G. Chaban « Wed Nov 09, 2011 6:03 am
Replies: 1
by piaoxue001 » Fri Nov 04, 2011 5:28 pm

1 Replies

3004 Views

Last post by Dr Vitaly V. G. Chaban
Wed Nov 09, 2011 6:03 am
How to reproduce a MD calculation

Last post by vinchy « Sat Nov 05, 2011 1:09 am
Replies: 2
by vinchy » Wed Nov 02, 2011 11:22 pm

2 Replies

1801 Views

Last post by vinchy
Sat Nov 05, 2011 1:09 am
How to calculate ennergy band and DOS in non - spin polarized calculation?

Last post by jlbettis « Fri Nov 04, 2011 7:55 pm
Replies: 3
by phuongvlpt » Thu Aug 05, 2010 9:43 am

3 Replies

2046 Views

Last post by jlbettis
Fri Nov 04, 2011 7:55 pm
Wrong result from band structure calculation

Last post by hatdau « Fri Nov 04, 2011 2:16 am
Replies: 2
by agupta16 » Tue Oct 25, 2011 4:51 am

2 Replies

1906 Views

Last post by hatdau
Fri Nov 04, 2011 2:16 am
band question

Last post by magal « Wed Nov 02, 2011 2:25 pm
Replies: 1
by parnian » Wed Nov 02, 2011 2:14 pm

1 Replies

1165 Views

Last post by magal
Wed Nov 02, 2011 2:25 pm
HSE06 band structure

Last post by husl « Mon Oct 31, 2011 7:22 pm
Replies: 27
by zoowe » Thu Jan 21, 2010 11:58 pm
1

2
27 Replies

41089 Views

Last post by husl
Mon Oct 31, 2011 7:22 pm
cpu time

Last post by Dr Vitaly V. G. Chaban « Mon Oct 31, 2011 3:27 am
Replies: 1
by parnian » Thu Oct 27, 2011 1:25 pm

1 Replies

1205 Views

Last post by Dr Vitaly V. G. Chaban
Mon Oct 31, 2011 3:27 am
NEB

Last post by Neutrino « Sat Oct 29, 2011 5:36 am
Replies: 3
by apple » Wed Oct 19, 2011 1:16 am

3 Replies

2611 Views

Last post by Neutrino
Sat Oct 29, 2011 5:36 am
Volume of unit cell not consistent with experimental values

Last post by Neutrino « Sat Oct 29, 2011 5:28 am
Replies: 4
by agupta16 » Thu Oct 27, 2011 12:42 am

4 Replies

2153 Views

Last post by Neutrino
Sat Oct 29, 2011 5:28 am
GW doubts

Last post by giacomo giorgi « Wed Oct 26, 2011 5:51 pm
Replies: 1
by giacomo giorgi » Tue Oct 11, 2011 7:03 am

1 Replies

1670 Views

Last post by giacomo giorgi
Wed Oct 26, 2011 5:51 pm
H binding energy

Last post by Dr Vitaly V. G. Chaban « Wed Oct 26, 2011 5:31 pm
Replies: 3
by apple » Tue Oct 25, 2011 2:51 am

3 Replies

1639 Views

Last post by Dr Vitaly V. G. Chaban
Wed Oct 26, 2011 5:31 pm
calculations of a charged molecule with spin

Last post by imcnab « Wed Oct 26, 2011 3:00 am
Replies: 2
by imcnab » Wed Oct 26, 2011 12:05 am

2 Replies

2430 Views

Last post by imcnab
Wed Oct 26, 2011 3:00 am
Meaning and ordering of f-orbitals in DOS

Last post by ehftz943315 « Wed Oct 26, 2011 1:54 am
Replies: 4
by ehftz943315 » Wed Oct 19, 2011 8:10 am

4 Replies

13169 Views

Last post by ehftz943315
Wed Oct 26, 2011 1:54 am
Relaxation with constrained bonds or anlges is possible?

Last post by imcnab « Wed Oct 26, 2011 12:40 am
Replies: 1
by kjt0314 » Fri Oct 21, 2011 5:14 am

1 Replies

1339 Views

Last post by imcnab
Wed Oct 26, 2011 12:40 am
Initial spin multiplicity

Last post by imcnab « Tue Oct 25, 2011 11:40 pm
Replies: 7
by aarondesk » Fri Dec 07, 2007 5:03 pm

7 Replies

9068 Views

Last post by imcnab
Tue Oct 25, 2011 11:40 pm
partial DOS

Last post by elenaaleksandrovna « Tue Oct 25, 2011 10:27 pm
Replies: 3
by elenaaleksandrovna » Mon Oct 17, 2011 10:13 pm

3 Replies

1607 Views

Last post by elenaaleksandrovna
Tue Oct 25, 2011 10:27 pm
How can I define the MEP from the NEB calculation?

Last post by cyc99 « Tue Oct 25, 2011 10:31 am
Replies: 2
by cyc99 » Tue Aug 23, 2011 5:56 am

2 Replies

1925 Views

Last post by cyc99
Tue Oct 25, 2011 10:31 am
Can I control each cell parameter during cell optimization?

Last post by Dr Vitaly V. G. Chaban « Tue Oct 25, 2011 4:47 am
Replies: 1
by cyc99 » Mon Oct 17, 2011 1:22 pm

1 Replies

1081 Views

Last post by Dr Vitaly V. G. Chaban
Tue Oct 25, 2011 4:47 am

New Topic

5339 topics

Page 182 of 267
- Jump to page:
Previous
1
…
180
181
182
183
184
…
267
Next

Return to Board Index

Forum permissions

You cannot post new topics in this forum
You cannot reply to topics in this forum
You cannot edit your posts in this forum
You cannot delete your posts in this forum
You cannot post attachments in this forum