Using VASP

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Contents of DOSCAR in noncollinear calculation?

Last post by bmeredig « Mon Sep 14, 2009 2:57 am
Replies: 2
by bmeredig » Fri Sep 11, 2009 9:57 pm

2 Replies

2434 Views

Last post by bmeredig
Mon Sep 14, 2009 2:57 am
VASP 5.2 band structure calculation error!!

Last post by panda « Sat Sep 12, 2009 11:54 pm
Replies: 3
by wcwang » Fri Sep 04, 2009 9:19 pm

3 Replies

2695 Views

Last post by panda
Sat Sep 12, 2009 11:54 pm
NEB convergence

Last post by alex « Thu Sep 10, 2009 8:06 am
Replies: 2
by mukul » Wed Aug 26, 2009 6:16 pm

2 Replies

2362 Views

Last post by alex
Thu Sep 10, 2009 8:06 am
Is it possible to obtain ion's charge state in VASP?

Last post by panda « Tue Sep 08, 2009 3:06 am
Replies: 5
by blazing » Wed Jul 01, 2009 10:48 am

5 Replies

3120 Views

Last post by panda
Tue Sep 08, 2009 3:06 am
How to solve the problem which is caused by inputing too many datas in many lines?

Last post by chenhw « Sun Sep 06, 2009 10:33 am
Replies: 2
by chenhw » Thu Sep 03, 2009 9:04 am

2 Replies

1861 Views

Last post by chenhw
Sun Sep 06, 2009 10:33 am
Updating wavefunctions in self-consistent GW

Last post by irene « Tue Sep 01, 2009 8:45 am
Replies: 1
by irene » Thu Jul 23, 2009 4:11 pm

1 Replies

2254 Views

Last post by irene
Tue Sep 01, 2009 8:45 am
questions on parametes in DOS analysis

Last post by panda « Mon Aug 31, 2009 7:39 pm
Replies: 2
by luke419 » Sun Aug 09, 2009 2:04 pm

2 Replies

1849 Views

Last post by panda
Mon Aug 31, 2009 7:39 pm
why incoherent DOS?

Last post by alex « Mon Aug 31, 2009 9:02 am
Replies: 3
by linglin » Sun Aug 30, 2009 8:26 am

3 Replies

2164 Views

Last post by alex
Mon Aug 31, 2009 9:02 am
Electric field and HOMO-LUMO gap questions....help

Last post by ccmin4 « Mon Aug 31, 2009 6:39 am
Replies: 4
by bendix » Fri Apr 25, 2008 6:32 am

4 Replies

4303 Views

Last post by ccmin4
Mon Aug 31, 2009 6:39 am
question about the output

Last post by panda « Thu Aug 27, 2009 12:40 pm
Replies: 1
by Jeffreyfox » Mon Aug 17, 2009 10:34 pm

1 Replies

1239 Views

Last post by panda
Thu Aug 27, 2009 12:40 pm
Can vasp do the calculation with the system is not neutrality?

Last post by panda « Wed Aug 26, 2009 9:43 pm
Replies: 1
by nuthaha » Mon Aug 24, 2009 9:02 am

1 Replies

1435 Views

Last post by panda
Wed Aug 26, 2009 9:43 pm
question about simulated annealing

Last post by wenxuan « Tue Aug 25, 2009 12:44 am
Replies: 3
by wenxuan » Thu Aug 20, 2009 8:59 am

3 Replies

2843 Views

Last post by wenxuan
Tue Aug 25, 2009 12:44 am
Columns of DOSCAR file

Last post by blazing « Thu Aug 20, 2009 5:05 am
Replies: 5
by blazing » Mon Aug 10, 2009 10:55 am

5 Replies

6561 Views

Last post by blazing
Thu Aug 20, 2009 5:05 am
physical meaning of ISMEAR and SIGMA

Last post by forsdan « Sun Aug 16, 2009 9:39 am
Replies: 1
by luke419 » Sun Aug 16, 2009 3:37 am

1 Replies

3703 Views

Last post by forsdan
Sun Aug 16, 2009 9:39 am
Force accuracy

Last post by pkroll « Fri Aug 14, 2009 7:12 pm
Replies: 3
by dcurulla » Mon Jul 13, 2009 9:24 am

3 Replies

4215 Views

Last post by pkroll
Fri Aug 14, 2009 7:12 pm
problem in the frequence calculation of free molecule

Last post by physicalattraction « Fri Aug 14, 2009 9:28 am
Replies: 5
by rghomari » Thu Jul 30, 2009 9:19 pm

5 Replies

2846 Views

Last post by physicalattraction
Fri Aug 14, 2009 9:28 am
MAGMOM and GGA+U for Fe adsorption on SiO2 surface Si vancancy?

Last post by boris « Thu Aug 13, 2009 7:28 pm
Replies: 1
by fegg7502 » Thu Aug 13, 2009 3:47 pm

1 Replies

1976 Views

Last post by boris
Thu Aug 13, 2009 7:28 pm
problems on single Cu and H atom calculation

Last post by fegg7502 « Thu Aug 13, 2009 2:58 pm
Replies: 4
by fegg7502 » Mon Aug 03, 2009 12:44 pm

4 Replies

3152 Views

Last post by fegg7502
Thu Aug 13, 2009 2:58 pm
DOS analysis for metalorganic material including metal

Last post by alex « Tue Aug 11, 2009 2:25 pm
Replies: 3
by luke419 » Sat Aug 01, 2009 2:33 am

3 Replies

2483 Views

Last post by alex
Tue Aug 11, 2009 2:25 pm
Vasp utilities

Last post by panda « Tue Aug 04, 2009 4:02 pm
Replies: 3
by rajeshc » Thu Jul 30, 2009 4:46 am

3 Replies

1925 Views

Last post by panda
Tue Aug 04, 2009 4:02 pm

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