Using VASP

Moderators: Global Moderator, Moderator

New Topic

5527 topics

Page 242 of 277
- Jump to page:
Previous
1
…
240
241
242
243
244
…
277
Next

Topics

Replies

Views

Last post

local minima

Last post by admin « Mon Mar 03, 2008 2:41 pm
Replies: 1
by TAT » Fri Feb 29, 2008 4:29 pm

1 Replies

2866 Views

Last post by admin
Mon Mar 03, 2008 2:41 pm
Negative coordinates in POSCAR??

Last post by supert « Mon Mar 03, 2008 8:59 am
Replies: 2
by helvetico » Tue Nov 13, 2007 4:28 pm

2 Replies

4770 Views

Last post by supert
Mon Mar 03, 2008 8:59 am
Vacuum space for surface energy comparison

Last post by forsdan « Thu Feb 28, 2008 11:01 am
Replies: 2
by tak » Wed Feb 27, 2008 10:52 pm

2 Replies

7047 Views

Last post by forsdan
Thu Feb 28, 2008 11:01 am
Spin optimization

Last post by forsdan « Wed Feb 27, 2008 11:43 pm
Replies: 1
by tak » Wed Feb 27, 2008 10:30 pm

1 Replies

3346 Views

Last post by forsdan
Wed Feb 27, 2008 11:43 pm
Interpretion of DOS (eigenvalues vs. total energy)

Last post by forsdan « Wed Feb 27, 2008 12:03 pm
Replies: 2
by forsdan » Fri Feb 15, 2008 3:40 pm

2 Replies

3993 Views

Last post by forsdan
Wed Feb 27, 2008 12:03 pm
Hessian matrix calculation

Last post by admin « Wed Feb 27, 2008 11:20 am
Replies: 1
by Lecuyern » Mon Feb 25, 2008 8:09 pm

1 Replies

3806 Views

Last post by admin
Wed Feb 27, 2008 11:20 am
work function calculation

Last post by Jiaye Li « Sat Feb 23, 2008 9:46 am
Replies: 2
by Jiaye Li » Tue Feb 19, 2008 7:52 am

2 Replies

3802 Views

Last post by Jiaye Li
Sat Feb 23, 2008 9:46 am
Convergence problem in electronic relaxation of surface slab

Last post by admin « Fri Feb 22, 2008 1:22 pm
Replies: 3
by cwandtj » Wed Feb 20, 2008 8:23 pm

3 Replies

10810 Views

Last post by admin
Fri Feb 22, 2008 1:22 pm
which software is good for visualization of CHGCAR result on Ubuntu 7.10 system?

Last post by job « Thu Feb 21, 2008 12:51 pm
Replies: 2
by lqzhang » Thu Feb 14, 2008 3:55 am

2 Replies

4848 Views

Last post by job
Thu Feb 21, 2008 12:51 pm
NEB: tangent and chain-force are NaN for the last image

Last post by linpo « Wed Feb 20, 2008 7:01 pm
Replies: 2
by linpo » Wed Feb 20, 2008 5:35 pm

2 Replies

4806 Views

Last post by linpo
Wed Feb 20, 2008 7:01 pm
Questions about MAGMOM-tag / CHGCAR file

Last post by admin « Wed Feb 20, 2008 8:06 am
Replies: 4
by boris » Wed Jan 16, 2008 2:30 pm

4 Replies

7392 Views

Last post by admin
Wed Feb 20, 2008 8:06 am
Thermodynamic integration

Last post by mf081 « Tue Feb 19, 2008 3:44 pm
Replies: 3
by mf081 » Fri Feb 01, 2008 3:26 pm

3 Replies

4692 Views

Last post by mf081
Tue Feb 19, 2008 3:44 pm
Can we reproduce Heli(or screw)magnetism?

Last post by forsdan « Sat Feb 16, 2008 8:34 am
Replies: 1
by againsmile » Fri Feb 15, 2008 8:10 pm

1 Replies

3058 Views

Last post by forsdan
Sat Feb 16, 2008 8:34 am
setting initial velocities

Last post by admin « Fri Feb 15, 2008 9:20 am
Replies: 1
by cdt9f » Thu Feb 14, 2008 5:02 pm

1 Replies

2975 Views

Last post by admin
Fri Feb 15, 2008 9:20 am
install vmd on ubuntu 7.10, no error message, could not work

Last post by lqzhang « Thu Feb 14, 2008 10:33 pm
Replies: 1
by lqzhang » Thu Feb 14, 2008 3:53 pm

1 Replies

4167 Views

Last post by lqzhang
Thu Feb 14, 2008 10:33 pm
MAGMOM tag

Last post by boris « Thu Feb 14, 2008 12:01 pm
Replies: 4
by zlch5 » Wed Feb 13, 2008 4:49 am

4 Replies

7514 Views

Last post by boris
Thu Feb 14, 2008 12:01 pm
stress unit convertion from kB to GPa? potcar for He?

Last post by forsdan « Thu Feb 14, 2008 9:25 am
Replies: 1
by lqzhang » Thu Feb 14, 2008 3:51 am

1 Replies

6306 Views

Last post by forsdan
Thu Feb 14, 2008 9:25 am
Magnetic moment

Last post by forsdan « Sun Feb 10, 2008 7:25 pm
Replies: 1
by saswata » Sun Feb 10, 2008 4:48 am

1 Replies

4827 Views

Last post by forsdan
Sun Feb 10, 2008 7:25 pm
relax problem

Last post by admin « Fri Feb 08, 2008 10:16 am
Replies: 1
by rudra-b » Fri Feb 08, 2008 3:38 am

1 Replies

2993 Views

Last post by admin
Fri Feb 08, 2008 10:16 am
ICHAGR and Magmom setting

Last post by boris « Fri Feb 08, 2008 7:29 am
Replies: 1
by againsmile » Fri Feb 08, 2008 12:04 am

1 Replies

3132 Views

Last post by boris
Fri Feb 08, 2008 7:29 am

New Topic

5527 topics

Page 242 of 277
- Jump to page:
Previous
1
…
240
241
242
243
244
…
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