Using VASP

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Pseudopotential with self-interaction correction

Last post by tholme « Mon Mar 28, 2011 9:49 pm
Replies: 5
by sushil448 » Mon Jul 31, 2006 6:38 am

5 Replies

6631 Views

Last post by tholme
Mon Mar 28, 2011 9:49 pm
MAGMOM in noncollinear calculation

Last post by forsdan « Mon Mar 28, 2011 8:28 pm
Replies: 1
by sunray55 » Fri Mar 25, 2011 1:44 am

1 Replies

3750 Views

Last post by forsdan
Mon Mar 28, 2011 8:28 pm
Pseudopotential choice: differences in adsorption energies

Last post by alex « Fri Mar 25, 2011 7:36 am
Replies: 1
by q365 » Thu Mar 24, 2011 8:55 pm

1 Replies

2812 Views

Last post by alex
Fri Mar 25, 2011 7:36 am
density of state of single-layer graphene

Last post by metosa « Thu Mar 24, 2011 9:13 am
Replies: 1
by PhyChemKang » Wed Mar 23, 2011 10:11 am

1 Replies

3590 Views

Last post by metosa
Thu Mar 24, 2011 9:13 am
Crystall Structure Relax

Last post by jannypan « Thu Mar 24, 2011 8:31 am
Replies: 7
by sant » Tue Mar 15, 2011 4:31 pm

7 Replies

6147 Views

Last post by jannypan
Thu Mar 24, 2011 8:31 am
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

6504 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

7051 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

2780 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

2728 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

5585 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

9526 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

7261 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

5245 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

10863 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

8150 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

6122 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

4537 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

4479 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

5364 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

4404 Views

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

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