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Understanding the PROCAR File

Last post by admin « Thu Mar 17, 2011 11:22 am
Replies: 1
by kmkumar » Tue Mar 08, 2011 4:34 pm

1 Replies

3093 Views

Last post by admin
Thu Mar 17, 2011 11:22 am
Forces problem with single point energy calculation

Last post by admin « Tue Mar 15, 2011 2:38 pm
Replies: 7
by gaetan » Tue Mar 08, 2011 2:04 pm

7 Replies

5525 Views

Last post by admin
Tue Mar 15, 2011 2:38 pm
no WAVECAR/CHGCAR

Last post by admin « Tue Mar 15, 2011 2:22 pm
Replies: 5
by kambiz » Wed Feb 16, 2011 12:13 am

5 Replies

4157 Views

Last post by admin
Tue Mar 15, 2011 2:22 pm
IDIPOL and spurious electric filed

Last post by cenwanglai « Tue Mar 15, 2011 4:31 am
Replies: 3
by Eugene » Thu Jul 19, 2007 6:42 pm

3 Replies

3646 Views

Last post by cenwanglai
Tue Mar 15, 2011 4:31 am
faster convergence by restarting with WAVECAR?

Last post by boris « Mon Mar 14, 2011 2:19 pm
Replies: 2
by zhouf » Mon Mar 14, 2011 7:35 am

2 Replies

1792 Views

Last post by boris
Mon Mar 14, 2011 2:19 pm
density of states - HSE/GW

Last post by chandrima « Sat Mar 12, 2011 6:17 pm
Replies: 2
by chandrima » Tue Mar 01, 2011 4:34 pm

2 Replies

2296 Views

Last post by chandrima
Sat Mar 12, 2011 6:17 pm
Graphene Bulk Calculation

Last post by clinton « Wed Mar 09, 2011 9:50 am
Replies: 3
by Micah » Sat Feb 05, 2011 1:06 am

3 Replies

2928 Views

Last post by clinton
Wed Mar 09, 2011 9:50 am
d band center

Last post by alex « Sat Mar 05, 2011 9:51 am
Replies: 1
by sharma » Sat Mar 05, 2011 1:36 am

1 Replies

2039 Views

Last post by alex
Sat Mar 05, 2011 9:51 am
dielectric function

Last post by tilak « Fri Mar 04, 2011 5:30 pm
Replies: 3
by deak » Sun Nov 21, 2010 10:17 am

3 Replies

2646 Views

Last post by tilak
Fri Mar 04, 2011 5:30 pm
Same final Configurations and different energies

Last post by kambiz « Wed Mar 02, 2011 10:57 pm
Replies: 4
by kambiz » Fri Feb 25, 2011 3:02 am

4 Replies

1646 Views

Last post by kambiz
Wed Mar 02, 2011 10:57 pm
MAGMOM input for different magnetic states

Last post by sankh « Wed Mar 02, 2011 7:48 pm
Replies: 4
by sankh » Sun Feb 27, 2011 12:55 am

4 Replies

5109 Views

Last post by sankh
Wed Mar 02, 2011 7:48 pm
How to calculate different orbital charges?

Last post by peterciencias « Tue Mar 01, 2011 10:12 am
Replies: 2
by peterciencias » Tue Feb 15, 2011 10:08 am

2 Replies

1595 Views

Last post by peterciencias
Tue Mar 01, 2011 10:12 am
why it is not correct?

Last post by alex « Tue Mar 01, 2011 9:44 am
Replies: 9
by ljx2009 » Mon Jun 07, 2010 8:53 am

9 Replies

9871 Views

Last post by alex
Tue Mar 01, 2011 9:44 am
Spin-Orbit-Coupling

Last post by boris « Fri Feb 25, 2011 5:37 pm
Replies: 1
by rrobles » Thu Feb 03, 2011 3:03 pm

1 Replies

2964 Views

Last post by boris
Fri Feb 25, 2011 5:37 pm
Ionic Contribution in BECT of NaF by Berry Phase Method

Last post by kjt0314 « Fri Feb 25, 2011 7:41 am
Replies: 2
by kjt0314 » Mon Jan 17, 2011 3:29 am

2 Replies

1738 Views

Last post by kjt0314
Fri Feb 25, 2011 7:41 am
Chi(q)

Last post by riche « Thu Feb 24, 2011 3:29 pm
Replies: 1
by waaerers » Mon Jan 24, 2011 10:10 am

1 Replies

847 Views

Last post by riche
Thu Feb 24, 2011 3:29 pm
Negative lattice Vectors and coordinates

Last post by admin « Thu Feb 24, 2011 2:48 pm
Replies: 1
by sankh » Tue Feb 15, 2011 7:47 pm

1 Replies

1644 Views

Last post by admin
Thu Feb 24, 2011 2:48 pm
quick kpoints question

Last post by admin « Thu Feb 24, 2011 2:29 pm
Replies: 1
by lyon0100 » Fri Feb 18, 2011 2:53 am

1 Replies

1111 Views

Last post by admin
Thu Feb 24, 2011 2:29 pm
Valence band maximum

Last post by lexa « Thu Feb 24, 2011 10:36 am
Replies: 3
by lexa » Sat Feb 19, 2011 7:14 pm

3 Replies

4992 Views

Last post by lexa
Thu Feb 24, 2011 10:36 am
vibrational frequency

Last post by alex « Wed Feb 23, 2011 9:21 am
Replies: 5
by apple » Thu Feb 17, 2011 8:37 pm

5 Replies

2933 Views

Last post by alex
Wed Feb 23, 2011 9:21 am

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