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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

4237 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

4031 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

6759 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

4964 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

5441 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

4687 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

6606 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

10448 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

3617 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

3818 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

13527 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

7128 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

3593 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

6715 Views

Last post by jat255
Wed Mar 02, 2011 11:18 pm
ordering of eigen energies in HSE

Last post by superyoyo « Tue Mar 01, 2011 6:22 am
Replies: 3
by superyoyo » Tue Dec 14, 2010 12:52 am

3 Replies

6264 Views

Last post by superyoyo
Tue Mar 01, 2011 6:22 am
Excessive disk output in vasp.5.2.11

Last post by admin « Wed Feb 23, 2011 12:16 pm
Replies: 1
by tomic » Wed Feb 16, 2011 2:48 pm

1 Replies

4844 Views

Last post by admin
Wed Feb 23, 2011 12:16 pm
Two queries: 1. Broyden mixing, 2. EDIFF convergence

Last post by jlbettis « Fri Feb 11, 2011 2:14 am
Replies: 3
by bth20 » Tue Jul 12, 2005 9:56 am

3 Replies

11660 Views

Last post by jlbettis
Fri Feb 11, 2011 2:14 am
Restarting with constant basis set

Last post by tomic « Tue Feb 08, 2011 7:09 pm
Replies: 1
by tomic » Tue Feb 08, 2011 5:34 pm

1 Replies

4400 Views

Last post by tomic
Tue Feb 08, 2011 7:09 pm
VASP run error under mpich2

Last post by Gu Chenjie « Sun Feb 06, 2011 6:54 am
Replies: 2
by Gu Chenjie » Thu Jan 06, 2011 8:04 am

2 Replies

5337 Views

Last post by Gu Chenjie
Sun Feb 06, 2011 6:54 am
Computer freezes running parallel vasp (and sometimes serial too)

Last post by alex « Wed Feb 02, 2011 8:28 am
Replies: 1
by cat54 » Tue Feb 01, 2011 3:16 pm

1 Replies

4284 Views

Last post by alex
Wed Feb 02, 2011 8:28 am

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