Using VASP

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cell optimization with vdW-DF functional

Last post by kelum « Thu Jul 12, 2012 11:14 am
Replies: 1
by tibeten » Thu Jul 12, 2012 12:19 am

1 Replies

2803 Views

Last post by kelum
Thu Jul 12, 2012 11:14 am
Metastable structures in NEB

Last post by admin « Wed Jul 11, 2012 4:57 pm
Replies: 1
by kambiz » Thu Jun 07, 2012 1:48 am

1 Replies

2462 Views

Last post by admin
Wed Jul 11, 2012 4:57 pm
After relaxation NEB images are same as initial or final image

Last post by admin « Wed Jul 11, 2012 4:46 pm
Replies: 1
by magnon963 » Sat Jun 16, 2012 9:57 am

1 Replies

3441 Views

Last post by admin
Wed Jul 11, 2012 4:46 pm
In NEB calculation K-point sampling

Last post by admin « Wed Jul 11, 2012 4:43 pm
Replies: 1
by magnon963 » Sat Jun 16, 2012 10:03 am

1 Replies

2920 Views

Last post by admin
Wed Jul 11, 2012 4:43 pm
how to set the codes on parallel

Last post by admin « Wed Jul 11, 2012 4:41 pm
Replies: 1
by gechaoyi » Tue Jun 19, 2012 10:40 am

1 Replies

2380 Views

Last post by admin
Wed Jul 11, 2012 4:41 pm
Flexible boundary condition VS Periodic boundary condition?

Last post by admin « Wed Jul 11, 2012 4:36 pm
Replies: 1
by dyc_2008 » Wed Jun 27, 2012 10:16 am

1 Replies

2739 Views

Last post by admin
Wed Jul 11, 2012 4:36 pm
POSCAR File - Primitive vectors

Last post by admin « Wed Jul 11, 2012 3:17 pm
Replies: 1
by egkog » Wed Jul 04, 2012 10:06 pm

1 Replies

2953 Views

Last post by admin
Wed Jul 11, 2012 3:17 pm
adsorbed atoms moving into the slab

Last post by alex « Tue Jul 10, 2012 9:19 am
Replies: 3
by sigi14 » Thu Jul 05, 2012 10:58 pm

3 Replies

3509 Views

Last post by alex
Tue Jul 10, 2012 9:19 am
Different in ground state energy (E0) from spin and non-spin polarized

Last post by PRKN « Tue Jul 10, 2012 6:03 am
Replies: 3
by PRKN » Fri Jul 06, 2012 7:32 am

3 Replies

4339 Views

Last post by PRKN
Tue Jul 10, 2012 6:03 am
Problem in Al alloy calculations by PAW GGA (Help me plz.)

Last post by powertong « Mon Jul 09, 2012 12:12 pm
Replies: 2
by powertong » Mon Jul 09, 2012 9:50 am

2 Replies

2830 Views

Last post by powertong
Mon Jul 09, 2012 12:12 pm
uspp-gga-pbe

Last post by yanfei « Mon Jul 09, 2012 3:55 am
Replies: 1
by yanfei » Sun Jul 08, 2012 3:21 pm

1 Replies

2373 Views

Last post by yanfei
Mon Jul 09, 2012 3:55 am
tight binding in VASP

Last post by vistawanted « Sun Jul 08, 2012 5:41 pm
Replies: 2
by Juan Pedro » Mon Jun 25, 2012 6:48 pm

2 Replies

5081 Views

Last post by vistawanted
Sun Jul 08, 2012 5:41 pm
DOS

Last post by apple « Fri Jul 06, 2012 11:07 pm
Replies: 2
by apple » Thu Jul 05, 2012 8:25 pm

2 Replies

3015 Views

Last post by apple
Fri Jul 06, 2012 11:07 pm
N atom

Last post by apple « Thu Jul 05, 2012 6:02 pm
Replies: 4
by apple » Tue Jul 03, 2012 7:05 pm

4 Replies

3864 Views

Last post by apple
Thu Jul 05, 2012 6:02 pm
convergence problem

Last post by apple « Tue Jul 03, 2012 6:59 pm
Replies: 2
by apple » Sun Jul 01, 2012 4:42 am

2 Replies

4747 Views

Last post by apple
Tue Jul 03, 2012 6:59 pm
LOPTICS and ALGO=CHI for metals

Last post by Vahid Askarpour « Mon Jul 02, 2012 2:44 pm
Replies: 1
by Vahid Askarpour » Wed Jun 13, 2012 2:27 pm

1 Replies

3200 Views

Last post by Vahid Askarpour
Mon Jul 02, 2012 2:44 pm
CHGCAR

Last post by apple « Sun Jul 01, 2012 4:35 am
Replies: 3
by apple » Tue Jun 05, 2012 6:10 am

3 Replies

4971 Views

Last post by apple
Sun Jul 01, 2012 4:35 am
Why DFT can calculate states above fermi level?

Last post by Neutrino « Fri Jun 29, 2012 10:55 pm
Replies: 4
by JohnnyTsien » Fri Apr 06, 2012 9:43 pm

4 Replies

7243 Views

Last post by Neutrino
Fri Jun 29, 2012 10:55 pm
Partial Charge density

Last post by poorvasingh « Fri Jun 29, 2012 9:35 am
Replies: 2
by poorvasingh » Thu Jun 28, 2012 1:29 pm

2 Replies

3953 Views

Last post by poorvasingh
Fri Jun 29, 2012 9:35 am
relaxation with external electric field

Last post by admin « Tue Jun 26, 2012 10:55 am
Replies: 2
by Li Huang » Mon Mar 19, 2012 9:58 pm

2 Replies

3911 Views

Last post by admin
Tue Jun 26, 2012 10:55 am

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