Using VASP

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GGA tag (INCAR) and LEXCH tag (POTCAR)

Last post by suresh0807 « Tue Jun 02, 2015 3:29 pm
Replies: 2
by suresh0807 » Tue May 05, 2015 5:17 pm

2 Replies

8184 Views

Last post by suresh0807
Tue Jun 02, 2015 3:29 pm
van der Waals correction

Last post by Bmodak « Mon Jun 01, 2015 2:54 pm
Replies: 2
by Bmodak » Wed May 27, 2015 8:54 am

2 Replies

3934 Views

Last post by Bmodak
Mon Jun 01, 2015 2:54 pm
GGA tag confusion RPBE or revPBE

Last post by suresh0807 « Tue May 12, 2015 1:11 pm
Replies: 2
by suresh0807 » Fri May 08, 2015 4:29 pm

2 Replies

6488 Views

Last post by suresh0807
Tue May 12, 2015 1:11 pm
restart for elastic tensor calculations

Last post by alex « Mon May 11, 2015 4:19 pm
Replies: 2
by gdezano » Mon May 11, 2015 9:12 am

2 Replies

3258 Views

Last post by alex
Mon May 11, 2015 4:19 pm
LDAU and LSORBIT

Last post by Neutrino « Mon May 11, 2015 3:30 pm
Replies: 2
by leegeunsik » Sun May 10, 2015 5:23 pm

2 Replies

3407 Views

Last post by Neutrino
Mon May 11, 2015 3:30 pm
Dipole transition matrix elements from LOPTICS

Last post by 5-1669 « Tue Apr 28, 2015 7:03 am
Replies: 2
by ssharifz » Wed Jun 04, 2014 9:23 pm

2 Replies

6905 Views

Last post by 5-1669
Tue Apr 28, 2015 7:03 am
BLYP functional

Last post by Neutrino « Tue Apr 28, 2015 2:57 am
Replies: 9
by Neutrino » Thu Mar 05, 2015 4:47 am

9 Replies

10337 Views

Last post by Neutrino
Tue Apr 28, 2015 2:57 am
Converging defect supercells containing Europium 3+

Last post by mbkumar « Wed Apr 22, 2015 5:57 pm
Replies: 4
by mbkumar » Mon Apr 20, 2015 8:27 pm

4 Replies

5875 Views

Last post by mbkumar
Wed Apr 22, 2015 5:57 pm
PROCAR entries

Last post by admin « Mon Apr 20, 2015 12:24 pm
Replies: 1
by alpha » Mon Apr 13, 2015 7:55 pm

1 Replies

2938 Views

Last post by admin
Mon Apr 20, 2015 12:24 pm
How to Use HSE method??????

Last post by ANJI BABU « Sun Apr 19, 2015 9:41 pm
Replies: 5
by ANJI BABU » Tue Mar 10, 2015 1:21 pm

5 Replies

6024 Views

Last post by ANJI BABU
Sun Apr 19, 2015 9:41 pm
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

3388 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

8353 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

4178 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

4772 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

4206 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

3103 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

3174 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

4450 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

3009 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

4965 Views

Last post by alex
Thu Mar 26, 2015 10:36 am

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