Using VASP

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Structure relaxation

Last post by san « Wed Mar 23, 2011 11:20 am
Replies: 4
by TAT » Thu Jun 04, 2009 1:49 am

4 Replies

6627 Views

Last post by san
Wed Mar 23, 2011 11:20 am
Caulation of oxygen atom with degeneracy/non-degeneracy

Last post by alex « Wed Mar 23, 2011 8:05 am
Replies: 6
by D.Lee » Sat Mar 19, 2011 8:53 am

6 Replies

7133 Views

Last post by alex
Wed Mar 23, 2011 8:05 am
Questions about NEB

Last post by tgakic « Tue Mar 22, 2011 1:17 pm
Replies: 1
by kambiz » Mon Mar 21, 2011 4:15 am

1 Replies

2813 Views

Last post by tgakic
Tue Mar 22, 2011 1:17 pm
Number of jobs at a time - Urgent

Last post by tgakic « Tue Mar 22, 2011 1:03 pm
Replies: 1
by Ramya » Tue Mar 15, 2011 7:31 am

1 Replies

2767 Views

Last post by tgakic
Tue Mar 22, 2011 1:03 pm
PBE atomization energy of O2

Last post by marcindulak « Mon Mar 21, 2011 8:21 am
Replies: 3
by marcindulak » Fri Mar 11, 2011 11:23 am

3 Replies

5989 Views

Last post by marcindulak
Mon Mar 21, 2011 8:21 am
Single Point Energy Calculations

Last post by graeme « Sun Mar 20, 2011 4:21 pm
Replies: 4
by lexa » Fri Mar 18, 2011 5:15 pm

4 Replies

9595 Views

Last post by graeme
Sun Mar 20, 2011 4:21 pm
vasp5.2, vasp4.6

Last post by admin « Thu Mar 17, 2011 12:22 pm
Replies: 1
by kambiz » Wed Mar 16, 2011 2:21 am

1 Replies

7311 Views

Last post by admin
Thu Mar 17, 2011 12:22 pm
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

5288 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

10964 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

8242 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

6163 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

4623 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

4536 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

5414 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

4489 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

5318 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

4819 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

9326 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

3733 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

17609 Views

Last post by alex
Tue Mar 01, 2011 9:44 am

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