Using VASP

Moderators: Global Moderator, Moderator

New Topic

5318 topics

Page 215 of 266
- Jump to page:
Previous
1
…
213
214
215
216
217
…
266
Next

Topics

Replies

Views

Last post

Ionization energy

Last post by panda « Fri Jul 17, 2009 3:27 am
Replies: 1
by giacomo giorgi » Sat Jul 11, 2009 6:01 am

1 Replies

2359 Views

Last post by panda
Fri Jul 17, 2009 3:27 am
Question on the Total Energy and the Electronic DOS

Last post by Modey3 « Thu Jul 16, 2009 5:56 pm
Replies: 3
by Modey3 » Sun Jul 12, 2009 9:15 pm

3 Replies

1991 Views

Last post by Modey3
Thu Jul 16, 2009 5:56 pm
have problem optimizing nanotubes(convergence....)

Last post by forsdan « Thu Jul 16, 2009 2:35 pm
Replies: 1
by srikanth.pedireddy » Thu Jul 16, 2009 10:36 am

1 Replies

1145 Views

Last post by forsdan
Thu Jul 16, 2009 2:35 pm
convergence problem

Last post by zhu « Thu Jul 16, 2009 10:10 am
Replies: 2
by zhu » Tue Jul 14, 2009 12:37 am

2 Replies

1587 Views

Last post by zhu
Thu Jul 16, 2009 10:10 am
How to fix a space group for a given supercell ?

Last post by centauris « Sat Jul 11, 2009 6:06 pm
Replies: 3
by ypipon » Fri Jun 12, 2009 10:49 am

3 Replies

2928 Views

Last post by centauris
Sat Jul 11, 2009 6:06 pm
SOC

Last post by forsdan « Fri Jul 10, 2009 7:30 pm
Replies: 2
by linglin » Fri Jul 10, 2009 11:01 am

2 Replies

1571 Views

Last post by forsdan
Fri Jul 10, 2009 7:30 pm
constraining in magnetic moments

Last post by eltonjose « Fri Jul 10, 2009 10:13 am
Replies: 4
by eltonjose » Thu Jul 09, 2009 11:44 am

4 Replies

3589 Views

Last post by eltonjose
Fri Jul 10, 2009 10:13 am
about dielectric function

Last post by linglin « Wed Jul 08, 2009 2:18 am
Replies: 7
by linglin » Thu Jun 18, 2009 10:08 am

7 Replies

2616 Views

Last post by linglin
Wed Jul 08, 2009 2:18 am
LDA of formation energy

Last post by forsdan « Tue Jul 07, 2009 8:23 pm
Replies: 1
by sutatch » Tue Jul 07, 2009 3:32 pm

1 Replies

1452 Views

Last post by forsdan
Tue Jul 07, 2009 8:23 pm
symmetry and geometry optimization

Last post by panda « Tue Jul 07, 2009 5:00 am
Replies: 2
by panda » Tue May 26, 2009 9:05 pm

2 Replies

2714 Views

Last post by panda
Tue Jul 07, 2009 5:00 am
Fermi energy in 1D & 3D

Last post by panda « Tue Jul 07, 2009 4:44 am
Replies: 1
by leonardo » Mon Jun 22, 2009 9:32 am

1 Replies

1794 Views

Last post by panda
Tue Jul 07, 2009 4:44 am
Revised PBE potentials

Last post by ran « Tue Jun 30, 2009 3:05 pm
Replies: 1
by Andreas » Wed Jun 17, 2009 3:35 pm

1 Replies

1523 Views

Last post by ran
Tue Jun 30, 2009 3:05 pm
Charged systems - deprotonation energy calculation in zeolites

Last post by lux « Thu Jun 25, 2009 9:21 am
Replies: 1
by lux » Wed Jun 17, 2009 1:00 pm

1 Replies

3466 Views

Last post by lux
Thu Jun 25, 2009 9:21 am
Calculating vibrational frequencies of a charged defect

Last post by alex « Fri Jun 19, 2009 12:29 pm
Replies: 1
by John Buckeridge » Thu Jun 18, 2009 10:24 am

1 Replies

1699 Views

Last post by alex
Fri Jun 19, 2009 12:29 pm
Calculating migration energy using NEB

Last post by tsemi « Thu Jun 18, 2009 2:03 pm
Replies: 4
by Mahesh_chandran » Mon May 29, 2006 10:22 am

4 Replies

3756 Views

Last post by tsemi
Thu Jun 18, 2009 2:03 pm
help on Berry phase calculation

Last post by yingma « Sun Jun 14, 2009 1:57 pm
Replies: 2
by yingma » Sun Jun 14, 2009 7:52 am

2 Replies

1684 Views

Last post by yingma
Sun Jun 14, 2009 1:57 pm
Cohesion energy calculation of Cr23C6

Last post by tracy « Fri Jun 12, 2009 7:49 pm
Replies: 4
by tracy » Tue Jun 09, 2009 9:43 pm

4 Replies

4293 Views

Last post by tracy
Fri Jun 12, 2009 7:49 pm
How to add an electronic field in vasp calculations

Last post by haiping « Thu Jun 11, 2009 10:16 am
Replies: 2
by haiping » Wed Jun 10, 2009 10:32 am

2 Replies

1673 Views

Last post by haiping
Thu Jun 11, 2009 10:16 am
convergence

Last post by yuxiao_zihan « Wed Jun 10, 2009 12:43 pm
Replies: 1
by shurab » Tue Jun 02, 2009 3:55 pm

1 Replies

1886 Views

Last post by yuxiao_zihan
Wed Jun 10, 2009 12:43 pm
setting LDAUL,LDAUUand LDAUJ terms in INCAR

Last post by giacomo giorgi « Mon Jun 08, 2009 9:36 am
Replies: 1
by prithwish » Sat Jun 06, 2009 10:29 am

1 Replies

3479 Views

Last post by giacomo giorgi
Mon Jun 08, 2009 9:36 am

New Topic

5318 topics

Page 215 of 266
- Jump to page:
Previous
1
…
213
214
215
216
217
…
266
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