Using VASP

Moderators: Global Moderator, Moderator

New Topic

5418 topics

Page 183 of 271
- Jump to page:
Previous
1
…
181
182
183
184
185
…
271
Next

Topics

Replies

Views

Last post

Geometry optimization of BCN-sheets....

Last post by Danny « Thu Jan 19, 2012 3:41 pm
Replies: 1
by rezorva » Wed Jan 18, 2012 10:36 pm

1 Replies

1386 Views

Last post by Danny
Thu Jan 19, 2012 3:41 pm
Vasp Problem...

Last post by rezorva « Wed Jan 18, 2012 10:23 pm
Replies: 5
by rezorva » Tue Jan 17, 2012 2:04 pm

5 Replies

2201 Views

Last post by rezorva
Wed Jan 18, 2012 10:23 pm
MD simulation - print out velocities at each time step

Last post by graeme « Mon Jan 16, 2012 7:57 pm
Replies: 3
by halinh » Thu Jan 12, 2012 1:32 pm

3 Replies

2134 Views

Last post by graeme
Mon Jan 16, 2012 7:57 pm
memory requirement ....

Last post by Danny « Mon Jan 16, 2012 2:02 pm
Replies: 6
by crajesh » Fri Jan 13, 2012 6:27 am

6 Replies

5392 Views

Last post by Danny
Mon Jan 16, 2012 2:02 pm
Dipol moment clarification

Last post by tanggara « Sun Jan 15, 2012 3:58 pm
Replies: 1
by tanggara » Fri Jan 13, 2012 5:15 pm

1 Replies

1897 Views

Last post by tanggara
Sun Jan 15, 2012 3:58 pm
Convergence Problem in NEB calculations.

Last post by magnon963 « Sat Jan 14, 2012 2:30 pm
Replies: 2
by magnon963 » Wed Jan 11, 2012 1:26 pm

2 Replies

3133 Views

Last post by magnon963
Sat Jan 14, 2012 2:30 pm
Error EDDDAV: Call to ZHEGV failed. Returncode = 25 2 8

Last post by Venkatesh Botu « Wed Jan 11, 2012 5:01 pm
Replies: 2
by rashmi » Thu Jun 16, 2011 9:07 am

2 Replies

3038 Views

Last post by Venkatesh Botu
Wed Jan 11, 2012 5:01 pm
Faster way to calculate isotopic vibration frequencies?

Last post by tanggara « Tue Jan 10, 2012 5:38 pm
Replies: 4
by tanggara » Thu Jan 05, 2012 7:53 pm

4 Replies

2093 Views

Last post by tanggara
Tue Jan 10, 2012 5:38 pm
augmentation part

Last post by admin « Mon Jan 09, 2012 1:24 pm
Replies: 1
by apple » Sat Jan 07, 2012 1:28 am

1 Replies

1790 Views

Last post by admin
Mon Jan 09, 2012 1:24 pm
magnetization

Last post by apple « Mon Jan 09, 2012 5:15 am
Replies: 2
by apple » Sat Jan 07, 2012 2:02 am

2 Replies

1903 Views

Last post by apple
Mon Jan 09, 2012 5:15 am
Is the higher the ENCUT, the higher the accuracy we get?

Last post by KurtG « Fri Jan 06, 2012 4:02 pm
Replies: 2
by KurtG » Fri Jan 06, 2012 5:16 am

2 Replies

2830 Views

Last post by KurtG
Fri Jan 06, 2012 4:02 pm
HSE calculation

Last post by magnon963 « Fri Jan 06, 2012 7:06 am
Replies: 2
by magnon963 » Sat Dec 31, 2011 5:55 am

2 Replies

1658 Views

Last post by magnon963
Fri Jan 06, 2012 7:06 am
constrained LDA

Last post by tekalign « Thu Jan 05, 2012 5:51 pm
Replies: 6
by linglin » Sat May 24, 2008 12:51 pm

6 Replies

4347 Views

Last post by tekalign
Thu Jan 05, 2012 5:51 pm
Calculating Simulated STM

Last post by admin « Wed Jan 04, 2012 5:16 pm
Replies: 7
by sjensen313 » Mon Dec 19, 2011 7:42 pm

7 Replies

7197 Views

Last post by admin
Wed Jan 04, 2012 5:16 pm
Should I use the WAVECAR and CHGCAR to a static self-consistent calculation?

Last post by admin « Wed Jan 04, 2012 4:45 pm
Replies: 1
by dyc_2008 » Fri Dec 23, 2011 9:26 am

1 Replies

1453 Views

Last post by admin
Wed Jan 04, 2012 4:45 pm
binding energy

Last post by admin « Wed Jan 04, 2012 4:35 pm
Replies: 1
by apple » Sat Dec 31, 2011 11:35 pm

1 Replies

1381 Views

Last post by admin
Wed Jan 04, 2012 4:35 pm
Ultra Soft PP

Last post by admin « Wed Jan 04, 2012 4:28 pm
Replies: 1
by mayankaditya » Fri Dec 30, 2011 5:19 pm

1 Replies

1130 Views

Last post by admin
Wed Jan 04, 2012 4:28 pm
Visualizing MOs?

Last post by tlchan « Mon Jan 02, 2012 5:08 am
Replies: 2
by Synergy » Thu Dec 22, 2011 10:28 pm

2 Replies

2389 Views

Last post by tlchan
Mon Jan 02, 2012 5:08 am
[Q] band structure calculation with spin-orbit interaction

Last post by einsteinn « Fri Dec 30, 2011 3:02 pm
Replies: 1
by sondon » Tue Sep 07, 2010 4:21 pm

1 Replies

5085 Views

Last post by einsteinn
Fri Dec 30, 2011 3:02 pm
Fat band plot

Last post by mforti « Tue Dec 27, 2011 3:35 am
Replies: 6
by leostorm10 » Tue Jun 14, 2011 8:56 pm

6 Replies

21140 Views

Last post by mforti
Tue Dec 27, 2011 3:35 am

New Topic

5418 topics

Page 183 of 271
- Jump to page:
Previous
1
…
181
182
183
184
185
…
271
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