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DFT-D calculation crashes (segmentation fault)

Last post by ye « Tue Jun 14, 2011 4:17 am
Replies: 1
by ye » Mon Jun 13, 2011 11:36 pm

1 Replies

4770 Views

Last post by ye
Tue Jun 14, 2011 4:17 am
zero volume : can anyone check my poscar?

Last post by tube77 « Tue Jun 07, 2011 2:54 am
Replies: 2
by tube77 » Mon Jun 06, 2011 3:27 am

2 Replies

4690 Views

Last post by tube77
Tue Jun 07, 2011 2:54 am
symmetry error.

Last post by nkxirainbow « Thu Jun 02, 2011 6:39 am
Replies: 2
by nkxirainbow » Mon May 30, 2011 8:55 am

2 Replies

7065 Views

Last post by nkxirainbow
Thu Jun 02, 2011 6:39 am
The default direction for magnetic moment in a collinear calcultaiotns.

Last post by admin « Mon May 23, 2011 7:41 pm
Replies: 3
by Neutrino » Sat May 14, 2011 10:09 am

3 Replies

6169 Views

Last post by admin
Mon May 23, 2011 7:41 pm
Temperature Setting Problem

Last post by admin « Mon May 23, 2011 6:56 pm
Replies: 1
by Neutrino » Sat May 21, 2011 8:21 am

1 Replies

4567 Views

Last post by admin
Mon May 23, 2011 6:56 pm
nitrogen on graphene

Last post by admin « Fri May 13, 2011 7:08 pm
Replies: 1
by Isha » Wed Apr 27, 2011 6:30 am

1 Replies

4163 Views

Last post by admin
Fri May 13, 2011 7:08 pm
How to continue the calculation with IBRION=6

Last post by admin « Fri May 13, 2011 6:40 pm
Replies: 1
by hongding » Fri May 13, 2011 3:32 am

1 Replies

4531 Views

Last post by admin
Fri May 13, 2011 6:40 pm
Atom Specific Denisty of States

Last post by admin « Wed May 11, 2011 5:14 pm
Replies: 1
by kmkumar » Mon Apr 18, 2011 8:36 pm

1 Replies

4292 Views

Last post by admin
Wed May 11, 2011 5:14 pm
vasp 5 GW cpu number problem.

Last post by yasin « Sun Apr 24, 2011 7:21 pm
Replies: 1
by metosa » Fri Jun 12, 2009 5:23 am

1 Replies

7057 Views

Last post by yasin
Sun Apr 24, 2011 7:21 pm
error in parallel running

Last post by Isha « Fri Apr 08, 2011 6:46 am
Replies: 2
by Isha » Fri Mar 25, 2011 6:47 am

2 Replies

5407 Views

Last post by Isha
Fri Apr 08, 2011 6:46 am
VASP ignoring INCAR commands

Last post by Deadrew « Mon Apr 04, 2011 10:49 pm
Replies: 3
by Deadrew » Sun Apr 03, 2011 10:13 pm

3 Replies

5783 Views

Last post by Deadrew
Mon Apr 04, 2011 10:49 pm
Major Total Energy Differences - Dispersion Correction

Last post by alex « Thu Mar 31, 2011 4:52 pm
Replies: 1
by kmkumar » Thu Mar 31, 2011 10:56 am

1 Replies

5012 Views

Last post by alex
Thu Mar 31, 2011 4:52 pm
Very strange problem when running parallel vasp5

Last post by stshcs « Tue Mar 29, 2011 1:32 am
Replies: 4
by stshcs » Wed Mar 23, 2011 3:28 am

4 Replies

7009 Views

Last post by stshcs
Tue Mar 29, 2011 1:32 am
NPAR problem with VASP 5.2.11 vs. 4.6.36

Last post by alex « Fri Mar 18, 2011 4:24 pm
Replies: 4
by alex » Wed Mar 16, 2011 12:55 pm

4 Replies

10914 Views

Last post by alex
Fri Mar 18, 2011 4:24 pm
program terminates after few steps

Last post by admin « Thu Mar 17, 2011 10:39 am
Replies: 1
by Isha » Wed Mar 09, 2011 5:29 am

1 Replies

3911 Views

Last post by admin
Thu Mar 17, 2011 10:39 am
problem in running vasp

Last post by alex « Thu Mar 17, 2011 7:36 am
Replies: 1
by Isha » Thu Mar 17, 2011 4:58 am

1 Replies

4099 Views

Last post by alex
Thu Mar 17, 2011 7:36 am
vasp error:Reciprocal lattice and k-lattice belong to different class of lattices

Last post by fangzhu « Tue Mar 15, 2011 12:24 am
Replies: 2
by fangzhu » Sat Mar 12, 2011 12:17 pm

2 Replies

14077 Views

Last post by fangzhu
Tue Mar 15, 2011 12:24 am
Call to routine DSYEV fails when using IBRION = 7 + Selective dynamics

Last post by rrobles « Fri Mar 11, 2011 3:23 pm
Replies: 2
by forsdan » Sun Jul 11, 2010 10:42 pm

2 Replies

7475 Views

Last post by rrobles
Fri Mar 11, 2011 3:23 pm
program terminates after few steps

Last post by admin « Wed Mar 09, 2011 3:41 pm
Replies: 1
by Isha » Wed Mar 09, 2011 5:29 am

1 Replies

3846 Views

Last post by admin
Wed Mar 09, 2011 3:41 pm
Possible bug in Na_sv PAW-PBE pseudopotential

Last post by jat255 « Wed Mar 02, 2011 11:18 pm
Replies: 2
by jat255 » Wed Mar 02, 2011 3:33 pm

2 Replies

7038 Views

Last post by jat255
Wed Mar 02, 2011 11:18 pm

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