Using VASP

Moderators: Global Moderator, Moderator

New Topic

5557 topics

Page 174 of 278
- Jump to page:
Previous
1
…
172
173
174
175
176
…
278
Next

Topics

Replies

Views

Last post

van der Waals functional gives positive total energy to Na and K bulk

Last post by nv « Wed Apr 03, 2013 1:49 pm
Replies: 4
by zhaohui » Mon Dec 10, 2012 3:28 pm

4 Replies

6314 Views

Last post by nv
Wed Apr 03, 2013 1:49 pm
Phonons with vasp

Last post by saikat « Tue Apr 02, 2013 4:15 pm
Replies: 3
by saikat » Fri Mar 29, 2013 7:30 pm

3 Replies

3223 Views

Last post by saikat
Tue Apr 02, 2013 4:15 pm
Non-relativistic Pseudopotentials

Last post by annagarden « Tue Apr 02, 2013 12:12 pm
Replies: 4
by annagarden » Thu Mar 21, 2013 5:16 pm

4 Replies

2999 Views

Last post by annagarden
Tue Apr 02, 2013 12:12 pm
The energy of atom is positive or negative？

Last post by bsmile « Mon Apr 01, 2013 4:52 pm
Replies: 4
by dyc_2008 » Wed Mar 16, 2011 12:15 pm

4 Replies

3358 Views

Last post by bsmile
Mon Apr 01, 2013 4:52 pm
Free energy of N2 molecule

Last post by admin « Tue Mar 26, 2013 12:40 pm

by admin » Tue Mar 26, 2013 12:40 pm

0 Replies

1996 Views

Last post by admin
Tue Mar 26, 2013 12:40 pm
GGA + U(R) in VASP

Last post by admin « Tue Mar 26, 2013 11:57 am
Replies: 1
by ccsdt_vasp » Mon Mar 25, 2013 8:39 pm

1 Replies

2503 Views

Last post by admin
Tue Mar 26, 2013 11:57 am
About DIPOL tag

Last post by IGNOTUS « Tue Mar 26, 2013 9:22 am
Replies: 2
by nujjj » Wed Feb 09, 2005 7:48 pm

2 Replies

5691 Views

Last post by IGNOTUS
Tue Mar 26, 2013 9:22 am
How to determine the k point path in band structure calculation?

Last post by wuqisheng « Fri Mar 22, 2013 12:53 pm
Replies: 1
by wuqisheng » Fri Mar 22, 2013 10:39 am

1 Replies

2812 Views

Last post by wuqisheng
Fri Mar 22, 2013 12:53 pm
non-collinear

Last post by parnian « Fri Mar 22, 2013 11:03 am
Replies: 3
by parnian » Wed Mar 20, 2013 2:40 pm

3 Replies

3407 Views

Last post by parnian
Fri Mar 22, 2013 11:03 am
Adsorption of N atom to metal surface

Last post by annagarden « Thu Mar 21, 2013 5:12 pm
Replies: 7
by annagarden » Mon Mar 11, 2013 5:49 pm

7 Replies

6787 Views

Last post by annagarden
Thu Mar 21, 2013 5:12 pm
What does VASP consider a small band gap?

Last post by jlbettis « Wed Mar 20, 2013 5:08 pm
Replies: 2
by jlbettis » Wed Mar 20, 2013 3:32 am

2 Replies

2442 Views

Last post by jlbettis
Wed Mar 20, 2013 5:08 pm
vibrational frequency calculations

Last post by apple « Tue Mar 19, 2013 3:22 pm
Replies: 2
by apple » Fri Mar 15, 2013 8:29 pm

2 Replies

3368 Views

Last post by apple
Tue Mar 19, 2013 3:22 pm
Visualize the Wavefunction

Last post by xcid « Mon Mar 18, 2013 4:03 pm
Replies: 15
by okuno » Mon Aug 17, 2009 10:03 am
1

2
15 Replies

20181 Views

Last post by xcid
Mon Mar 18, 2013 4:03 pm
Total Energy from GW

Last post by admin « Mon Mar 18, 2013 2:22 pm
Replies: 2
by Malediction » Tue Mar 12, 2013 2:13 am

2 Replies

2408 Views

Last post by admin
Mon Mar 18, 2013 2:22 pm
CHGCAR format?

Last post by maartendft « Sat Mar 16, 2013 10:24 pm
Replies: 2
by topl8921 » Wed Feb 20, 2013 1:59 pm

2 Replies

9899 Views

Last post by maartendft
Sat Mar 16, 2013 10:24 pm
need 64 atom super cell of mgo for vasp poscar file

Last post by maartendft « Sat Mar 16, 2013 10:14 pm
Replies: 7
by lqzhang » Tue Apr 05, 2011 3:17 pm

7 Replies

5927 Views

Last post by maartendft
Sat Mar 16, 2013 10:14 pm
structure stabilities with DFT+U and HSE

Last post by apple « Fri Mar 15, 2013 8:17 pm
Replies: 4
by apple » Mon Mar 11, 2013 2:26 am

4 Replies

3032 Views

Last post by apple
Fri Mar 15, 2013 8:17 pm
order DOSCAR in a SPIN-ORBIT calculation

Last post by admin « Thu Mar 14, 2013 12:35 pm
Replies: 1
by autieri » Thu Feb 21, 2013 9:49 am

1 Replies

3272 Views

Last post by admin
Thu Mar 14, 2013 12:35 pm
radial distribution function

Last post by admin « Tue Mar 12, 2013 11:40 am
Replies: 1
by sammu09 » Mon Mar 11, 2013 3:35 pm

1 Replies

2962 Views

Last post by admin
Tue Mar 12, 2013 11:40 am
Warning after using vfin.pl

Last post by graeme « Mon Mar 11, 2013 9:43 pm
Replies: 1
by cappri » Mon Mar 11, 2013 4:31 pm

1 Replies

1883 Views

Last post by graeme
Mon Mar 11, 2013 9:43 pm

New Topic

5557 topics

Page 174 of 278
- Jump to page:
Previous
1
…
172
173
174
175
176
…
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