Using VASP

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Ground state energy in GW calculation

Last post by vaspGG « Fri Apr 17, 2015 8:46 am
Replies: 2
by vaspGG » Fri Apr 03, 2015 9:44 am

2 Replies

2491 Views

Last post by vaspGG
Fri Apr 17, 2015 8:46 am
self consistent c parameter for MBJ

Last post by psriv « Fri Apr 17, 2015 5:58 am
Replies: 2
by psriv » Wed Mar 04, 2015 9:34 am

2 Replies

7160 Views

Last post by psriv
Fri Apr 17, 2015 5:58 am
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

2940 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

3636 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

3320 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

2333 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

2350 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

3170 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

2254 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

3512 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

4255 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

4843 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

3751 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

2748 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

4243 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

8472 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

2382 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

1985 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

4959 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

4401 Views

Last post by Neutrino
Thu Feb 26, 2015 12:53 am

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