Using VASP

Moderators: Global Moderator, Moderator

New Topic

5527 topics

Page 185 of 277
- Jump to page:
Previous
1
…
183
184
185
186
187
…
277
Next

Topics

Replies

Views

Last post

How can I get the value of band gap.

Last post by tlchan « Wed Apr 04, 2012 5:29 am
Replies: 2
by Lee » Sun Apr 01, 2012 6:09 pm

2 Replies

3417 Views

Last post by tlchan
Wed Apr 04, 2012 5:29 am
VASP crashes when I use bigger atoms in POTCAR

Last post by tlchan « Wed Apr 04, 2012 5:25 am
Replies: 2
by vasp_user » Tue Apr 03, 2012 5:27 am

2 Replies

2032 Views

Last post by tlchan
Wed Apr 04, 2012 5:25 am
coverage determination

Last post by tlchan « Wed Apr 04, 2012 5:06 am
Replies: 1
by apple » Sun Mar 25, 2012 4:53 am

1 Replies

1782 Views

Last post by tlchan
Wed Apr 04, 2012 5:06 am
ISIF=8 : relaxation of the ions, of the volume but not of the cell shape.

Last post by lzhang09 « Tue Apr 03, 2012 9:49 pm
Replies: 1
by jp » Fri Jul 08, 2011 1:15 pm

1 Replies

3399 Views

Last post by lzhang09
Tue Apr 03, 2012 9:49 pm
VASP calculation while maintaining the ratio of the lattice constants

Last post by admin « Tue Apr 03, 2012 12:33 pm
Replies: 1
by arkulkarni245 » Mon Mar 26, 2012 6:34 am

1 Replies

1868 Views

Last post by admin
Tue Apr 03, 2012 12:33 pm
OUTCAR and CONTCAR

Last post by admin « Tue Apr 03, 2012 12:20 pm
Replies: 1
by Leny » Tue Mar 27, 2012 4:18 pm

1 Replies

1839 Views

Last post by admin
Tue Apr 03, 2012 12:20 pm
Calculating zero-field splitting within VASP

Last post by admin « Tue Apr 03, 2012 12:11 pm
Replies: 1
by ltrgordon » Mon Apr 02, 2012 9:15 pm

1 Replies

2314 Views

Last post by admin
Tue Apr 03, 2012 12:11 pm
HSE06 calculation - improving the convergence

Last post by Lee « Sun Apr 01, 2012 9:47 am
Replies: 3
by giacomo giorgi » Wed Nov 16, 2011 12:06 pm

3 Replies

3267 Views

Last post by Lee
Sun Apr 01, 2012 9:47 am
Rerun NEB calculation

Last post by Leny « Fri Mar 30, 2012 3:21 am
Replies: 6
by Leny » Tue Mar 27, 2012 3:43 pm

6 Replies

4044 Views

Last post by Leny
Fri Mar 30, 2012 3:21 am
is Andersen thermostat available in 4.6? -Dtbdyn ?

Last post by admin « Wed Mar 28, 2012 10:57 am
Replies: 1
by hess8 » Tue Mar 27, 2012 11:31 pm

1 Replies

1885 Views

Last post by admin
Wed Mar 28, 2012 10:57 am
help,how can I get the potential energy of each atom in a structure using DFT package

Last post by weikexueerzhan « Tue Mar 27, 2012 5:07 am
Replies: 11
by weikexueerzhan » Thu Mar 15, 2012 6:44 am

11 Replies

11225 Views

Last post by weikexueerzhan
Tue Mar 27, 2012 5:07 am
neb.dat

Last post by Leny « Tue Mar 27, 2012 1:42 am
Replies: 2
by Leny » Mon Mar 26, 2012 12:20 pm

2 Replies

3421 Views

Last post by Leny
Tue Mar 27, 2012 1:42 am
dipole correction

Last post by apple « Sun Mar 25, 2012 6:58 pm
Replies: 2
by apple » Mon Mar 19, 2012 9:46 pm

2 Replies

2386 Views

Last post by apple
Sun Mar 25, 2012 6:58 pm
Si bandgap

Last post by kuntalroy « Sun Mar 25, 2012 4:04 am
Replies: 2
by kuntalroy » Wed Mar 14, 2012 5:52 am

2 Replies

2236 Views

Last post by kuntalroy
Sun Mar 25, 2012 4:04 am
Energy vs Volume for Silicon Diamond in VASP

Last post by jess « Fri Mar 23, 2012 11:19 pm
Replies: 7
by jess » Thu Feb 02, 2012 11:26 pm

7 Replies

6591 Views

Last post by jess
Fri Mar 23, 2012 11:19 pm
cell drift during MD

Last post by Michael « Fri Mar 23, 2012 6:36 pm
Replies: 4
by lucyyang » Fri Mar 09, 2012 1:03 am

4 Replies

5124 Views

Last post by Michael
Fri Mar 23, 2012 6:36 pm
Plotting wave functions

Last post by Danny « Fri Mar 23, 2012 2:59 pm
Replies: 3
by maryam » Thu Mar 22, 2012 8:09 am

3 Replies

3518 Views

Last post by Danny
Fri Mar 23, 2012 2:59 pm
A question about PARCHG

Last post by repent03 « Thu Mar 22, 2012 6:48 am
Replies: 2
by repent03 » Wed Mar 21, 2012 6:53 am

2 Replies

3378 Views

Last post by repent03
Thu Mar 22, 2012 6:48 am
Splitted DOS

Last post by Danny « Sat Mar 17, 2012 1:09 am
Replies: 6
by kambiz » Thu Mar 15, 2012 9:37 am

6 Replies

3833 Views

Last post by Danny
Sat Mar 17, 2012 1:09 am
How to plot optical spectrum

Last post by Isabel « Fri Mar 16, 2012 7:00 pm
Replies: 1
by hfruchtl » Wed Feb 08, 2012 10:07 pm

1 Replies

2560 Views

Last post by Isabel
Fri Mar 16, 2012 7:00 pm

New Topic

5527 topics

Page 185 of 277
- Jump to page:
Previous
1
…
183
184
185
186
187
…
277
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