Using VASP

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Unit used in OSZICAR

Last post by jess « Thu Feb 02, 2012 11:19 pm
Replies: 2
by jess » Wed Feb 01, 2012 1:31 am

2 Replies

4938 Views

Last post by jess
Thu Feb 02, 2012 11:19 pm
Right or Wrong?

Last post by vistawanted « Tue Jan 31, 2012 5:10 pm
Replies: 3
by rezorva » Mon Jan 30, 2012 8:34 am

3 Replies

2602 Views

Last post by vistawanted
Tue Jan 31, 2012 5:10 pm
About the band structure calculation by GW in vasp 5.2

Last post by gloomy2004 « Mon Jan 30, 2012 6:21 pm
Replies: 14
by lxbyf » Wed May 19, 2010 12:40 pm

14 Replies

11511 Views

Last post by gloomy2004
Mon Jan 30, 2012 6:21 pm
tio2 nanotube convergence

Last post by rezorva « Sat Jan 28, 2012 9:32 am
Replies: 1
by satish2414 » Fri Jan 27, 2012 2:29 pm

1 Replies

1854 Views

Last post by rezorva
Sat Jan 28, 2012 9:32 am
How to restart the vasp

Last post by tlchan « Sat Jan 28, 2012 4:53 am
Replies: 1
by tiger11212 » Wed Jan 25, 2012 1:29 am

1 Replies

4548 Views

Last post by tlchan
Sat Jan 28, 2012 4:53 am
Tutorial for VASP2WANNIER90

Last post by tlchan « Sat Jan 28, 2012 4:45 am
Replies: 1
by spakinfo » Wed Jan 25, 2012 2:25 pm

1 Replies

2687 Views

Last post by tlchan
Sat Jan 28, 2012 4:45 am
Gibbs free energies of molecules/reactions

Last post by alex « Fri Jan 27, 2012 10:00 am
Replies: 1
by dr.don80 » Fri Jan 27, 2012 12:41 am

1 Replies

2356 Views

Last post by alex
Fri Jan 27, 2012 10:00 am
about the formation energy calculated by vasp

Last post by tlchan « Tue Jan 24, 2012 4:40 am
Replies: 1
by utimasa » Thu Jan 19, 2012 2:51 pm

1 Replies

5152 Views

Last post by tlchan
Tue Jan 24, 2012 4:40 am
Quickly question...

Last post by admin « Fri Jan 20, 2012 11:43 am
Replies: 1
by rezorva » Thu Jan 19, 2012 10:54 am

1 Replies

1884 Views

Last post by admin
Fri Jan 20, 2012 11:43 am
Geometry optimization of BCN-sheets....

Last post by Danny « Thu Jan 19, 2012 3:41 pm
Replies: 1
by rezorva » Wed Jan 18, 2012 10:36 pm

1 Replies

2106 Views

Last post by Danny
Thu Jan 19, 2012 3:41 pm
Vasp Problem...

Last post by rezorva « Wed Jan 18, 2012 10:23 pm
Replies: 5
by rezorva » Tue Jan 17, 2012 2:04 pm

5 Replies

3496 Views

Last post by rezorva
Wed Jan 18, 2012 10:23 pm
MD simulation - print out velocities at each time step

Last post by graeme « Mon Jan 16, 2012 7:57 pm
Replies: 3
by halinh » Thu Jan 12, 2012 1:32 pm

3 Replies

3232 Views

Last post by graeme
Mon Jan 16, 2012 7:57 pm
memory requirement ....

Last post by Danny « Mon Jan 16, 2012 2:02 pm
Replies: 6
by crajesh » Fri Jan 13, 2012 6:27 am

6 Replies

7015 Views

Last post by Danny
Mon Jan 16, 2012 2:02 pm
Dipol moment clarification

Last post by tanggara « Sun Jan 15, 2012 3:58 pm
Replies: 1
by tanggara » Fri Jan 13, 2012 5:15 pm

1 Replies

2519 Views

Last post by tanggara
Sun Jan 15, 2012 3:58 pm
Convergence Problem in NEB calculations.

Last post by magnon963 « Sat Jan 14, 2012 2:30 pm
Replies: 2
by magnon963 » Wed Jan 11, 2012 1:26 pm

2 Replies

3981 Views

Last post by magnon963
Sat Jan 14, 2012 2:30 pm
Error EDDDAV: Call to ZHEGV failed. Returncode = 25 2 8

Last post by Venkatesh Botu « Wed Jan 11, 2012 5:01 pm
Replies: 2
by rashmi » Thu Jun 16, 2011 9:07 am

2 Replies

3816 Views

Last post by Venkatesh Botu
Wed Jan 11, 2012 5:01 pm
Faster way to calculate isotopic vibration frequencies?

Last post by tanggara « Tue Jan 10, 2012 5:38 pm
Replies: 4
by tanggara » Thu Jan 05, 2012 7:53 pm

4 Replies

3235 Views

Last post by tanggara
Tue Jan 10, 2012 5:38 pm
augmentation part

Last post by admin « Mon Jan 09, 2012 1:24 pm
Replies: 1
by apple » Sat Jan 07, 2012 1:28 am

1 Replies

2497 Views

Last post by admin
Mon Jan 09, 2012 1:24 pm
magnetization

Last post by apple « Mon Jan 09, 2012 5:15 am
Replies: 2
by apple » Sat Jan 07, 2012 2:02 am

2 Replies

2697 Views

Last post by apple
Mon Jan 09, 2012 5:15 am
Is the higher the ENCUT, the higher the accuracy we get?

Last post by KurtG « Fri Jan 06, 2012 4:02 pm
Replies: 2
by KurtG » Fri Jan 06, 2012 5:16 am

2 Replies

3716 Views

Last post by KurtG
Fri Jan 06, 2012 4:02 pm

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