Using VASP

Moderators: Global Moderator, Moderator

New Topic

5341 topics

Page 175 of 268
- Jump to page:
Previous
1
…
173
174
175
176
177
…
268
Next

Topics

Replies

Views

Last post

insufficient virtual memory in the preparatory DFT of G0W0 calculation

Last post by admin « Tue Apr 24, 2012 2:18 pm
Replies: 1
by njuxyh » Tue Apr 10, 2012 7:45 am

1 Replies

2081 Views

Last post by admin
Tue Apr 24, 2012 2:18 pm
Optimisation

Last post by admin « Tue Apr 24, 2012 2:17 pm
Replies: 1
by kugan75 » Fri Apr 13, 2012 1:19 pm

1 Replies

2035 Views

Last post by admin
Tue Apr 24, 2012 2:17 pm
Different Valence in Hydrogen

Last post by apple « Mon Apr 23, 2012 6:31 pm
Replies: 3
by b_lack » Tue Apr 17, 2012 11:00 am

3 Replies

1925 Views

Last post by apple
Mon Apr 23, 2012 6:31 pm
magnetic impurity in ZnO non-convergence problem

Last post by okuno « Fri Apr 20, 2012 2:22 am
Replies: 2
by okuno » Wed Apr 18, 2012 2:35 am

2 Replies

1399 Views

Last post by okuno
Fri Apr 20, 2012 2:22 am
NPAR error

Last post by alex « Thu Apr 19, 2012 10:15 am
Replies: 2
by zhigangmei » Wed Apr 18, 2012 10:36 pm

2 Replies

1871 Views

Last post by alex
Thu Apr 19, 2012 10:15 am
Disagreement between total energy and stress tensor in distorted unit cell

Last post by admin « Tue Apr 17, 2012 2:05 pm
Replies: 1
by hipertrofia » Fri Apr 13, 2012 10:34 pm

1 Replies

1126 Views

Last post by admin
Tue Apr 17, 2012 2:05 pm
total charge density (valence + ion)

Last post by tlchan « Sat Apr 14, 2012 7:10 am
Replies: 3
by dhfphysics » Sun Apr 08, 2012 8:07 pm

3 Replies

4379 Views

Last post by tlchan
Sat Apr 14, 2012 7:10 am
bonding, non-bonding, antibonding orbitals

Last post by giacomo giorgi « Thu Apr 12, 2012 4:25 am
Replies: 2
by giacomo giorgi » Mon Apr 04, 2011 8:28 am

2 Replies

2179 Views

Last post by giacomo giorgi
Thu Apr 12, 2012 4:25 am
Help with NEB

Last post by Leny « Sun Apr 08, 2012 6:49 pm
Replies: 2
by Leny » Sun Mar 25, 2012 6:00 pm

2 Replies

1456 Views

Last post by Leny
Sun Apr 08, 2012 6:49 pm
H+ in vasp

Last post by esantos « Sun Apr 08, 2012 2:14 am
Replies: 6
by esantos » Thu Mar 29, 2012 10:58 pm

6 Replies

2717 Views

Last post by esantos
Sun Apr 08, 2012 2:14 am
Average electrostatic potential in PBE and HSE06

Last post by davionknight « Sat Apr 07, 2012 9:40 pm
Replies: 1
by davionknight » Sat Apr 07, 2012 4:39 am

1 Replies

2052 Views

Last post by davionknight
Sat Apr 07, 2012 9:40 pm
GLLB potential in vasp?

Last post by admin « Thu Apr 05, 2012 3:02 pm
Replies: 1
by jber » Wed Apr 04, 2012 3:19 pm

1 Replies

1227 Views

Last post by admin
Thu Apr 05, 2012 3:02 pm
convergence problem with isolated Ti atom

Last post by rpf « Thu Apr 05, 2012 1:32 pm
Replies: 3
by linpo » Wed Feb 20, 2008 5:53 pm

3 Replies

1909 Views

Last post by rpf
Thu Apr 05, 2012 1:32 pm
Band decomposed chargedensity for Spinpolarized calculation (magnetic system)

Last post by grybos « Wed Apr 04, 2012 11:33 am
Replies: 1
by giacomo giorgi » Wed Jun 01, 2011 12:36 pm

1 Replies

3835 Views

Last post by grybos
Wed Apr 04, 2012 11:33 am
How can I get the value of band gap.

Last post by tlchan « Wed Apr 04, 2012 5:29 am
Replies: 2
by Lee » Sun Apr 01, 2012 6:09 pm

2 Replies

2270 Views

Last post by tlchan
Wed Apr 04, 2012 5:29 am
VASP crashes when I use bigger atoms in POTCAR

Last post by tlchan « Wed Apr 04, 2012 5:25 am
Replies: 2
by vasp_user » Tue Apr 03, 2012 5:27 am

2 Replies

1181 Views

Last post by tlchan
Wed Apr 04, 2012 5:25 am
coverage determination

Last post by tlchan « Wed Apr 04, 2012 5:06 am
Replies: 1
by apple » Sun Mar 25, 2012 4:53 am

1 Replies

1012 Views

Last post by tlchan
Wed Apr 04, 2012 5:06 am
ISIF=8 : relaxation of the ions, of the volume but not of the cell shape.

Last post by lzhang09 « Tue Apr 03, 2012 9:49 pm
Replies: 1
by jp » Fri Jul 08, 2011 1:15 pm

1 Replies

2552 Views

Last post by lzhang09
Tue Apr 03, 2012 9:49 pm
VASP calculation while maintaining the ratio of the lattice constants

Last post by admin « Tue Apr 03, 2012 12:33 pm
Replies: 1
by arkulkarni245 » Mon Mar 26, 2012 6:34 am

1 Replies

1109 Views

Last post by admin
Tue Apr 03, 2012 12:33 pm
OUTCAR and CONTCAR

Last post by admin « Tue Apr 03, 2012 12:20 pm
Replies: 1
by Leny » Tue Mar 27, 2012 4:18 pm

1 Replies

1155 Views

Last post by admin
Tue Apr 03, 2012 12:20 pm

New Topic

5341 topics

Page 175 of 268
- Jump to page:
Previous
1
…
173
174
175
176
177
…
268
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