Using VASP

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No convergence when dipole correction is switched on.

Last post by Lian « Sun Jun 09, 2013 9:08 pm
Replies: 6
by Lian » Thu May 23, 2013 4:08 pm

6 Replies

12801 Views

Last post by Lian
Sun Jun 09, 2013 9:08 pm
LDA+U

Last post by WolverBean « Fri Jun 07, 2013 8:16 pm
Replies: 13
by zazi » Fri Feb 03, 2012 4:34 pm

13 Replies

25780 Views

Last post by WolverBean
Fri Jun 07, 2013 8:16 pm
effect of precision tag on the band gap of a polymer

Last post by shyam « Wed Jun 05, 2013 5:50 pm
Replies: 1
by shyam » Tue May 28, 2013 12:02 pm

1 Replies

2725 Views

Last post by shyam
Wed Jun 05, 2013 5:50 pm
Makov-Payne correction

Last post by alirezaa66 « Tue Jun 04, 2013 10:14 pm
Replies: 4
by lexa » Tue Mar 22, 2011 9:40 am

4 Replies

6142 Views

Last post by alirezaa66
Tue Jun 04, 2013 10:14 pm
spin polarized band structure

Last post by ccccc « Mon Jun 03, 2013 11:57 am
Replies: 2
by ccccc » Fri May 31, 2013 3:11 pm

2 Replies

6072 Views

Last post by ccccc
Mon Jun 03, 2013 11:57 am
About DOS

Last post by rauleg « Fri May 31, 2013 6:28 pm
Replies: 4
by shmily » Wed Jul 06, 2005 7:49 am

4 Replies

6781 Views

Last post by rauleg
Fri May 31, 2013 6:28 pm
K-path for band structure

Last post by lalitha « Fri May 31, 2013 7:23 am
Replies: 2
by lalitha » Wed May 29, 2013 11:55 am

2 Replies

3828 Views

Last post by lalitha
Fri May 31, 2013 7:23 am
lattice constant

Last post by nulakani « Thu May 30, 2013 3:27 pm
Replies: 1
by lalitha » Wed May 29, 2013 6:23 am

1 Replies

2600 Views

Last post by nulakani
Thu May 30, 2013 3:27 pm
Using meta-GGA in vasp

Last post by FyneMan « Wed May 29, 2013 1:16 pm
Replies: 8
by a.soon » Sun Dec 05, 2010 11:29 pm

8 Replies

13581 Views

Last post by FyneMan
Wed May 29, 2013 1:16 pm
EIGENVALUE file: What are these numbers?

Last post by jlbettis « Wed May 29, 2013 7:46 am
Replies: 5
by lahaye » Mon May 01, 2006 8:43 am

5 Replies

19135 Views

Last post by jlbettis
Wed May 29, 2013 7:46 am
Band structure

Last post by lalitha « Wed May 29, 2013 6:29 am
Replies: 2
by rrpalanichamy » Mon May 27, 2013 12:30 pm

2 Replies

3528 Views

Last post by lalitha
Wed May 29, 2013 6:29 am
band structure: getting the correct band ordering

Last post by tlchan « Wed May 29, 2013 4:15 am
Replies: 2
by alpha » Fri May 24, 2013 11:29 pm

2 Replies

3143 Views

Last post by tlchan
Wed May 29, 2013 4:15 am
which PAW pseudo-potential for PBEsol

Last post by alistar « Tue May 28, 2013 10:46 am
Replies: 2
by alistar » Mon May 27, 2013 6:24 pm

2 Replies

4567 Views

Last post by alistar
Tue May 28, 2013 10:46 am
Lattice constant

Last post by nulakani « Mon May 27, 2013 7:00 pm
Replies: 1
by lalitha » Sat May 18, 2013 1:13 pm

1 Replies

2691 Views

Last post by nulakani
Mon May 27, 2013 7:00 pm
Spin Isomers

Last post by WolverBean « Sat May 25, 2013 8:31 pm
Replies: 3
by M Dave » Sun May 19, 2013 5:15 pm

3 Replies

3701 Views

Last post by WolverBean
Sat May 25, 2013 8:31 pm
Self-consistent Hubbard U-term

Last post by tilak « Fri May 24, 2013 4:46 pm
Replies: 1
by tilak » Fri May 24, 2013 4:45 pm

1 Replies

2727 Views

Last post by tilak
Fri May 24, 2013 4:46 pm
HOMO- LUMO gap

Last post by M Dave « Fri May 24, 2013 1:28 pm
Replies: 6
by Isha » Tue Nov 30, 2010 7:20 am

6 Replies

13205 Views

Last post by M Dave
Fri May 24, 2013 1:28 pm
HSE06 with wurtzite structure

Last post by haj « Thu May 23, 2013 5:31 pm
Replies: 2
by haj » Wed May 22, 2013 2:45 pm

2 Replies

3849 Views

Last post by haj
Thu May 23, 2013 5:31 pm
bandstructure

Last post by nulakani « Thu May 23, 2013 11:43 am
Replies: 1
by jyoti » Tue May 07, 2013 6:27 am

1 Replies

2731 Views

Last post by nulakani
Thu May 23, 2013 11:43 am
error in DFT+U

Last post by ccccc « Wed May 22, 2013 10:48 am
Replies: 5
by ccccc » Fri May 03, 2013 11:46 am

5 Replies

7597 Views

Last post by ccccc
Wed May 22, 2013 10:48 am

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