Using VASP

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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

3154 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

3339 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

5632 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

10911 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

5835 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

7779 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

6600 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

3874 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

6372 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

5375 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

4676 Views

Last post by panda
Tue Aug 04, 2009 4:02 pm
Large SLab from small slab

Last post by panda « Tue Aug 04, 2009 4:10 am
Replies: 1
by rajeshc » Wed Jul 29, 2009 6:28 am

1 Replies

3808 Views

Last post by panda
Tue Aug 04, 2009 4:10 am
How to calculate the excitonic optical properties in vasp?

Last post by irene « Thu Jul 30, 2009 4:52 pm
Replies: 8
by xfh00 » Mon Jul 20, 2009 11:50 pm

8 Replies

8645 Views

Last post by irene
Thu Jul 30, 2009 4:52 pm
How to calculate phonon spectra with VASP

Last post by panda « Thu Jul 30, 2009 4:46 pm
Replies: 3
by linglin » Tue Jul 21, 2009 2:31 am

3 Replies

5153 Views

Last post by panda
Thu Jul 30, 2009 4:46 pm
band structure calculation, error KPOINTS

Last post by panda « Thu Jul 30, 2009 4:36 pm
Replies: 1
by ben1978 » Tue Jul 28, 2009 1:08 pm

1 Replies

5472 Views

Last post by panda
Thu Jul 30, 2009 4:36 pm
Molecular Dynamtic calculation problem

Last post by pkroll « Wed Jul 29, 2009 2:33 pm
Replies: 1
by tsanghsiu » Mon Jul 27, 2009 10:13 pm

1 Replies

3399 Views

Last post by pkroll
Wed Jul 29, 2009 2:33 pm
how are the DOS energies referenced?

Last post by Modey3 « Tue Jul 28, 2009 2:58 pm
Replies: 2
by mhyman » Mon Dec 11, 2006 10:08 pm

2 Replies

6186 Views

Last post by Modey3
Tue Jul 28, 2009 2:58 pm
How to calculate energy associated with each individual atom and bond in a solid?

Last post by panda « Fri Jul 24, 2009 5:45 pm
Replies: 2
by prithwish » Tue Jul 14, 2009 3:34 am

2 Replies

4420 Views

Last post by panda
Fri Jul 24, 2009 5:45 pm
How to calculate Fermi Energy ?

Last post by Modey3 « Wed Jul 22, 2009 7:08 pm
Replies: 2
by phoudha » Thu Jan 11, 2007 9:07 pm

2 Replies

7055 Views

Last post by Modey3
Wed Jul 22, 2009 7:08 pm
PAW Potentials

Last post by ZachTexas « Wed Jul 22, 2009 3:21 pm
Replies: 1
by TAT » Tue Jul 21, 2009 10:27 pm

1 Replies

4301 Views

Last post by ZachTexas
Wed Jul 22, 2009 3:21 pm

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