Using VASP

Moderators: Global Moderator, Moderator

New Topic

5551 topics

Page 196 of 278
- Jump to page:
Previous
1
…
194
195
196
197
198
…
278
Next

Topics

Replies

Views

Last post

Memory issue for spin-polarized calculation

Last post by alex « Tue Aug 23, 2011 5:42 pm
Replies: 1
by CStar » Tue Aug 23, 2011 5:09 pm

1 Replies

2657 Views

Last post by alex
Tue Aug 23, 2011 5:42 pm
Routine ZPOTRF failed!

Last post by dhfphysics « Mon Aug 22, 2011 9:55 am
Replies: 4
by jlrch » Fri Mar 17, 2006 11:57 am

4 Replies

8317 Views

Last post by dhfphysics
Mon Aug 22, 2011 9:55 am
non-zero charge in vacuum in PARCHG

Last post by satish2414 « Sun Aug 21, 2011 4:24 pm
Replies: 3
by brocks » Thu Nov 02, 2006 12:12 pm

3 Replies

3496 Views

Last post by satish2414
Sun Aug 21, 2011 4:24 pm
Density of states problem

Last post by leostorm10 « Tue Aug 16, 2011 8:08 pm
Replies: 2
by leostorm10 » Mon Aug 15, 2011 7:22 pm

2 Replies

2982 Views

Last post by leostorm10
Tue Aug 16, 2011 8:08 pm
XAS in vasp?

Last post by chorawut « Mon Aug 15, 2011 2:31 pm
Replies: 1
by pimeson » Thu Jun 16, 2011 7:14 pm

1 Replies

2881 Views

Last post by chorawut
Mon Aug 15, 2011 2:31 pm
change in k-point error

Last post by uccakar « Sat Aug 13, 2011 8:58 pm
Replies: 2
by uccakar » Sat Aug 13, 2011 4:08 pm

2 Replies

6334 Views

Last post by uccakar
Sat Aug 13, 2011 8:58 pm
poscar for cnt

Last post by alex « Thu Aug 11, 2011 5:48 pm
Replies: 1
by revanth » Thu Aug 11, 2011 3:31 pm

1 Replies

2250 Views

Last post by alex
Thu Aug 11, 2011 5:48 pm
velocity Correlation function related to viscosity

Last post by ukponga « Thu Aug 11, 2011 1:16 pm
Replies: 2
by s9811016 » Sun Jul 24, 2011 12:14 am

2 Replies

3103 Views

Last post by ukponga
Thu Aug 11, 2011 1:16 pm
surface with adsorbates

Last post by apple « Wed Aug 10, 2011 11:26 pm
Replies: 6
by apple » Fri Jul 22, 2011 3:24 am

6 Replies

4289 Views

Last post by apple
Wed Aug 10, 2011 11:26 pm
Bandgap from multiple k-points

Last post by tlchan « Wed Aug 10, 2011 10:46 am
Replies: 1
by Dr Vitaly V. G. Chaban » Mon Aug 08, 2011 10:51 pm

1 Replies

2513 Views

Last post by tlchan
Wed Aug 10, 2011 10:46 am
Hybrid functional spin-polarized calculation

Last post by whao137 « Tue Aug 09, 2011 5:54 pm
Replies: 2
by whao137 » Tue Aug 09, 2011 2:35 pm

2 Replies

2901 Views

Last post by whao137
Tue Aug 09, 2011 5:54 pm
converging ions with VASP5.2

Last post by Danny « Sun Aug 07, 2011 3:11 pm
Replies: 4
by Danny » Tue Jul 12, 2011 7:37 pm

4 Replies

3957 Views

Last post by Danny
Sun Aug 07, 2011 3:11 pm
How to determine fermi level in DOS calculation of a bulk crystallite

Last post by tlchan « Sat Aug 06, 2011 7:56 pm
Replies: 1
by lamha » Thu Aug 04, 2011 3:47 am

1 Replies

3412 Views

Last post by tlchan
Sat Aug 06, 2011 7:56 pm
Problem on Berry phase calculation

Last post by jlbettis « Thu Aug 04, 2011 2:00 am
Replies: 2
by ericsun » Sun Apr 09, 2006 9:09 am

2 Replies

4253 Views

Last post by jlbettis
Thu Aug 04, 2011 2:00 am
entropy calculations

Last post by kambiz « Wed Aug 03, 2011 7:09 am
Replies: 1
by Babeusz » Tue Aug 02, 2011 12:57 pm

1 Replies

3016 Views

Last post by kambiz
Wed Aug 03, 2011 7:09 am
Elastic band method

Last post by sharma « Mon Aug 01, 2011 7:08 am
Replies: 2
by sharma » Thu Jul 28, 2011 4:37 am

2 Replies

2681 Views

Last post by sharma
Mon Aug 01, 2011 7:08 am
cohesive energy

Last post by forsdan « Fri Jul 29, 2011 11:20 am
Replies: 4
by musharaf » Wed Jul 27, 2011 4:48 pm

4 Replies

5408 Views

Last post by forsdan
Fri Jul 29, 2011 11:20 am
Ce 4f U=5 and intermetallic bonding with Rh

Last post by rgc « Thu Jul 28, 2011 3:21 pm
Replies: 1
by Sonny » Thu Jul 14, 2011 7:07 am

1 Replies

2319 Views

Last post by rgc
Thu Jul 28, 2011 3:21 pm
How to do Accurate spin polarized DOS calculation?

Last post by vasp_fan « Wed Jul 27, 2011 11:28 am
Replies: 1
by bikash » Tue Jul 19, 2011 7:59 pm

1 Replies

5234 Views

Last post by vasp_fan
Wed Jul 27, 2011 11:28 am
Unit Density of States

Last post by tlchan « Tue Jul 26, 2011 4:30 pm
Replies: 6
by hpaudel » Sun Jul 17, 2011 9:37 pm

6 Replies

6234 Views

Last post by tlchan
Tue Jul 26, 2011 4:30 pm

New Topic

5551 topics

Page 196 of 278
- Jump to page:
Previous
1
…
194
195
196
197
198
…
278
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