Using VASP

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Hybrid functional trouble

Last post by ALarsen « Thu Apr 16, 2015 11:26 am
Replies: 2
by ALarsen » Wed Apr 15, 2015 3:53 pm

2 Replies

4055 Views

Last post by ALarsen
Thu Apr 16, 2015 11:26 am
Polarization quanta in Berry phase calculations

Last post by huantd « Fri Apr 10, 2015 4:35 pm
Replies: 2
by huantd » Tue Apr 07, 2015 12:30 pm

2 Replies

4709 Views

Last post by huantd
Fri Apr 10, 2015 4:35 pm
Applying an external magnetic field

Last post by admin « Wed Apr 08, 2015 3:27 pm
Replies: 1
by szvasp » Tue Apr 07, 2015 1:11 pm

1 Replies

4171 Views

Last post by admin
Wed Apr 08, 2015 3:27 pm
Polarisation of graphene with berry phase

Last post by Infant « Mon Apr 06, 2015 6:31 am
Replies: 1
by spaz » Thu Sep 11, 2014 11:11 pm

1 Replies

3044 Views

Last post by Infant
Mon Apr 06, 2015 6:31 am
GW on Noncollinear calculation

Last post by admin « Thu Apr 02, 2015 12:23 pm
Replies: 1
by marsoner » Tue Mar 24, 2015 5:08 pm

1 Replies

3130 Views

Last post by admin
Thu Apr 02, 2015 12:23 pm
Infra-red spectra from MD

Last post by admin « Wed Apr 01, 2015 1:19 pm
Replies: 3
by alex » Fri Mar 27, 2015 2:11 pm

3 Replies

4344 Views

Last post by admin
Wed Apr 01, 2015 1:19 pm
How to calculate ΔGa for absorbed species

Last post by alex « Fri Mar 27, 2015 2:06 pm
Replies: 1
by ANJI BABU » Fri Mar 13, 2015 1:32 pm

1 Replies

2977 Views

Last post by alex
Fri Mar 27, 2015 2:06 pm
NPAR

Last post by alex « Thu Mar 26, 2015 10:36 am
Replies: 5
by nkwem » Thu Mar 19, 2015 3:12 pm

5 Replies

4894 Views

Last post by alex
Thu Mar 26, 2015 10:36 am
"Hybrid functionals HSE etc." & "plus U" methods..

Last post by ChK « Sun Mar 15, 2015 7:03 pm
Replies: 2
by Infant » Mon Feb 16, 2015 2:53 am

2 Replies

5378 Views

Last post by ChK
Sun Mar 15, 2015 7:03 pm
How to calculate core binding energy shifts between material

Last post by ehermes « Thu Mar 12, 2015 9:53 pm
Replies: 1
by ehermes » Fri Mar 06, 2015 6:31 pm

1 Replies

5800 Views

Last post by ehermes
Thu Mar 12, 2015 9:53 pm
VASP symmetry in piezo-electric tensor

Last post by hipertrofia « Thu Mar 12, 2015 11:05 am
Replies: 3
by maartendft » Tue Mar 03, 2015 1:33 am

3 Replies

4936 Views

Last post by hipertrofia
Thu Mar 12, 2015 11:05 am
significant increase in cpu times during MD

Last post by alex « Tue Mar 10, 2015 2:10 pm
Replies: 3
by 5-903 » Fri Mar 06, 2015 5:34 pm

3 Replies

3806 Views

Last post by alex
Tue Mar 10, 2015 2:10 pm
Nose thermostat total energy is rising

Last post by admin « Fri Mar 06, 2015 12:34 pm
Replies: 5
by comorado » Thu Feb 26, 2015 12:08 am

5 Replies

6341 Views

Last post by admin
Fri Mar 06, 2015 12:34 pm
total drift calculation

Last post by Danny « Fri Mar 06, 2015 11:56 am
Replies: 4
by Danny » Fri Feb 27, 2015 1:43 pm

4 Replies

10353 Views

Last post by Danny
Fri Mar 06, 2015 11:56 am
How to Use Phonopy???

Last post by admin « Mon Mar 02, 2015 1:17 pm
Replies: 1
by ANJI BABU » Mon Mar 02, 2015 11:59 am

1 Replies

3280 Views

Last post by admin
Mon Mar 02, 2015 1:17 pm
the maximum character-length in each line

Last post by admin « Fri Feb 27, 2015 2:38 pm
Replies: 1
by luke419 » Fri Feb 27, 2015 1:22 pm

1 Replies

2698 Views

Last post by admin
Fri Feb 27, 2015 2:38 pm
How to assign partial occupancy in POSCAR

Last post by admin « Fri Feb 27, 2015 10:04 am
Replies: 1
by Khaqan Shati » Fri Feb 27, 2015 5:38 am

1 Replies

6274 Views

Last post by admin
Fri Feb 27, 2015 10:04 am
Effect of smearing method on band gap

Last post by Neutrino « Thu Feb 26, 2015 12:53 am
Replies: 1
by Neutrino » Wed Feb 25, 2015 12:20 am

1 Replies

5717 Views

Last post by Neutrino
Thu Feb 26, 2015 12:53 am
Ab - initio MD

Last post by admin « Wed Feb 25, 2015 10:36 am
Replies: 1
by karthik1124 » Tue Feb 24, 2015 10:59 pm

1 Replies

3201 Views

Last post by admin
Wed Feb 25, 2015 10:36 am
VCA in VASP 5.3.5

Last post by admin « Wed Feb 25, 2015 10:17 am
Replies: 1
by tsmidt » Wed Feb 25, 2015 4:15 am

1 Replies

3598 Views

Last post by admin
Wed Feb 25, 2015 10:17 am

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