Using VASP

Moderators: Global Moderator, Moderator

New Topic

5557 topics

Page 172 of 278
- Jump to page:
Previous
1
…
170
171
172
173
174
…
278
Next

Topics

Replies

Views

Last post

band structure: getting the correct band ordering

Last post by tlchan « Wed May 29, 2013 4:15 am
Replies: 2
by alpha » Fri May 24, 2013 11:29 pm

2 Replies

2489 Views

Last post by tlchan
Wed May 29, 2013 4:15 am
which PAW pseudo-potential for PBEsol

Last post by alistar « Tue May 28, 2013 10:46 am
Replies: 2
by alistar » Mon May 27, 2013 6:24 pm

2 Replies

3709 Views

Last post by alistar
Tue May 28, 2013 10:46 am
Lattice constant

Last post by nulakani « Mon May 27, 2013 7:00 pm
Replies: 1
by lalitha » Sat May 18, 2013 1:13 pm

1 Replies

2141 Views

Last post by nulakani
Mon May 27, 2013 7:00 pm
Spin Isomers

Last post by WolverBean « Sat May 25, 2013 8:31 pm
Replies: 3
by M Dave » Sun May 19, 2013 5:15 pm

3 Replies

2903 Views

Last post by WolverBean
Sat May 25, 2013 8:31 pm
Self-consistent Hubbard U-term

Last post by tilak « Fri May 24, 2013 4:46 pm
Replies: 1
by tilak » Fri May 24, 2013 4:45 pm

1 Replies

2165 Views

Last post by tilak
Fri May 24, 2013 4:46 pm
HOMO- LUMO gap

Last post by M Dave « Fri May 24, 2013 1:28 pm
Replies: 6
by Isha » Tue Nov 30, 2010 7:20 am

6 Replies

10683 Views

Last post by M Dave
Fri May 24, 2013 1:28 pm
HSE06 with wurtzite structure

Last post by haj « Thu May 23, 2013 5:31 pm
Replies: 2
by haj » Wed May 22, 2013 2:45 pm

2 Replies

3016 Views

Last post by haj
Thu May 23, 2013 5:31 pm
bandstructure

Last post by nulakani « Thu May 23, 2013 11:43 am
Replies: 1
by jyoti » Tue May 07, 2013 6:27 am

1 Replies

2164 Views

Last post by nulakani
Thu May 23, 2013 11:43 am
error in DFT+U

Last post by ccccc « Wed May 22, 2013 10:48 am
Replies: 5
by ccccc » Fri May 03, 2013 11:46 am

5 Replies

5389 Views

Last post by ccccc
Wed May 22, 2013 10:48 am
Total Energy difference between 2 different structures of the same phase

Last post by jlbettis « Tue May 21, 2013 5:21 am
Replies: 3
by hosfa » Thu May 09, 2013 11:04 am

3 Replies

2800 Views

Last post by jlbettis
Tue May 21, 2013 5:21 am
Energy in OUTCAR

Last post by admin « Fri May 17, 2013 10:44 am
Replies: 2
by lalitha » Fri May 17, 2013 8:03 am

2 Replies

2527 Views

Last post by admin
Fri May 17, 2013 10:44 am
entropy of the transition state and reaction rate

Last post by abmo « Thu May 16, 2013 12:18 pm
Replies: 2
by abmo » Tue May 14, 2013 10:45 am

2 Replies

2962 Views

Last post by abmo
Thu May 16, 2013 12:18 pm
K-point file for band structure and DOS of a cluster.

Last post by admin « Tue May 14, 2013 2:45 pm
Replies: 1
by shyam » Tue May 14, 2013 6:47 am

1 Replies

1927 Views

Last post by admin
Tue May 14, 2013 2:45 pm
Finding band gap of a polymer.

Last post by shyam « Tue May 14, 2013 7:10 am
Replies: 5
by shyam » Mon Apr 29, 2013 11:25 am

5 Replies

4211 Views

Last post by shyam
Tue May 14, 2013 7:10 am
Kpoints Vs Energy

Last post by Faculty22 « Tue May 14, 2013 3:46 am
Replies: 1
by kmkumar » Mon Apr 22, 2013 2:55 pm

1 Replies

2455 Views

Last post by Faculty22
Tue May 14, 2013 3:46 am
Is it possible to calculate the Mulliken overlap populations between atoms?

Last post by alex « Mon May 13, 2013 11:55 am
Replies: 1
by zsjan » Sat May 11, 2013 6:00 am

1 Replies

2353 Views

Last post by alex
Mon May 13, 2013 11:55 am
MBJLDA calculations

Last post by davalenciah « Thu May 09, 2013 7:46 pm
Replies: 6
by anurag » Sun May 20, 2012 6:32 am

6 Replies

7899 Views

Last post by davalenciah
Thu May 09, 2013 7:46 pm
Changing input file

Last post by Leny « Wed May 08, 2013 12:46 pm
Replies: 4
by Leny » Thu May 02, 2013 11:56 am

4 Replies

3296 Views

Last post by Leny
Wed May 08, 2013 12:46 pm
Cu[Ga,In]Se2,S2

Last post by cappri « Wed May 08, 2013 12:42 pm
Replies: 1
by cappri » Tue May 07, 2013 1:49 pm

1 Replies

1978 Views

Last post by cappri
Wed May 08, 2013 12:42 pm
Integrated DOS and the total number of (valence) electrons

Last post by terencelz « Wed May 08, 2013 7:43 am
Replies: 1
by terencelz » Tue May 07, 2013 11:47 pm

1 Replies

3638 Views

Last post by terencelz
Wed May 08, 2013 7:43 am

New Topic

5557 topics

Page 172 of 278
- Jump to page:
Previous
1
…
170
171
172
173
174
…
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