Using VASP

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VASP Optimisation

Last post by Danny « Wed Feb 08, 2012 4:24 pm
Replies: 1
by kugan75 » Sat Feb 04, 2012 9:47 pm

1 Replies

2064 Views

Last post by Danny
Wed Feb 08, 2012 4:24 pm
Dimer method questions

Last post by gjenness « Wed Feb 08, 2012 1:48 am
Replies: 2
by gjenness » Tue Feb 07, 2012 9:53 pm

2 Replies

3424 Views

Last post by gjenness
Wed Feb 08, 2012 1:48 am
phonon outcar

Last post by satish2414 « Mon Feb 06, 2012 6:53 pm
Replies: 3
by satish2414 » Wed Jan 25, 2012 8:29 am

3 Replies

3076 Views

Last post by satish2414
Mon Feb 06, 2012 6:53 pm
Layer calculation/ Background charge

Last post by tlchan « Mon Feb 06, 2012 5:13 am
Replies: 3
by ivan » Wed Jan 25, 2012 12:03 pm

3 Replies

3810 Views

Last post by tlchan
Mon Feb 06, 2012 5:13 am
rundos/kpoints

Last post by ziulfer « Fri Feb 03, 2012 5:40 pm
Replies: 5
by phtobias » Fri May 12, 2006 1:24 am

5 Replies

6906 Views

Last post by ziulfer
Fri Feb 03, 2012 5:40 pm
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

5201 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

2875 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

12107 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

2068 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

4819 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

2906 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

2570 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

5425 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

2114 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

2348 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

3809 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

3544 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

7483 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

2755 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

4237 Views

Last post by magnon963
Sat Jan 14, 2012 2:30 pm

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