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ELFCAR mismatch with atoms position

Last post by DF11G0005 « Wed Jul 24, 2013 8:15 am
Replies: 1
by DF11G0005 » Wed Jul 24, 2013 8:14 am

1 Replies

4673 Views

Last post by DF11G0005
Wed Jul 24, 2013 8:15 am
Can HSE be employed to perform geometry optimization simply by assigning NSW=40, ISIF=3?

Last post by WolverBean « Wed Jul 24, 2013 4:12 am
Replies: 1
by xiaogai » Tue Jul 23, 2013 7:42 am

1 Replies

5899 Views

Last post by WolverBean
Wed Jul 24, 2013 4:12 am
HSE speed

Last post by HJ.Kim « Sat Jul 20, 2013 4:26 pm
Replies: 4
by koehenri » Thu Jun 20, 2013 9:58 am

4 Replies

10535 Views

Last post by HJ.Kim
Sat Jul 20, 2013 4:26 pm
Best way to test for optimal settings of KPAR/NPAR/LPLANE

Last post by hachteja « Thu Jul 18, 2013 5:03 pm
Replies: 2
by hachteja » Tue Jul 02, 2013 4:31 pm

2 Replies

11329 Views

Last post by hachteja
Thu Jul 18, 2013 5:03 pm
VASP is trapped in an infinite loop

Last post by admin « Fri Jul 12, 2013 1:52 pm
Replies: 4
by Amir » Wed Jul 10, 2013 8:38 pm

4 Replies

12111 Views

Last post by admin
Fri Jul 12, 2013 1:52 pm
VASP ceases output

Last post by Amir « Wed Jul 10, 2013 6:00 pm
Replies: 2
by jruhym » Thu Dec 17, 2009 8:08 pm

2 Replies

6420 Views

Last post by Amir
Wed Jul 10, 2013 6:00 pm
Internal error in subroutine PRICEL

Last post by hopefulp « Tue Jul 02, 2013 3:26 am
Replies: 3
by sudhakar » Mon Feb 20, 2006 9:52 pm

3 Replies

13706 Views

Last post by hopefulp
Tue Jul 02, 2013 3:26 am
vasp 5.3.3 -Segmentation fault (core dumped) when trying Handson1 exercises

Last post by stana « Mon Jul 01, 2013 5:47 pm
Replies: 7
by stana » Thu Jun 13, 2013 5:20 pm

7 Replies

17508 Views

Last post by stana
Mon Jul 01, 2013 5:47 pm
OPTIC file for HSE calculation

Last post by jjhskang « Mon Jul 01, 2013 4:09 am
Replies: 10
by jjhskang » Fri May 25, 2012 1:14 am

10 Replies

14823 Views

Last post by jjhskang
Mon Jul 01, 2013 4:09 am
Installation problem in VASP.5.3.2

Last post by paultim374 « Sat Jun 29, 2013 2:46 pm
Replies: 1
by magnon963 » Thu Jun 20, 2013 3:49 am

1 Replies

5394 Views

Last post by paultim374
Sat Jun 29, 2013 2:46 pm
vasp5.3.3: Segmentation fault occured when writing wavefunction

Last post by hatdau « Wed Jun 12, 2013 5:06 pm
Replies: 2
by hatdau » Tue Jun 11, 2013 3:18 pm

2 Replies

5676 Views

Last post by hatdau
Wed Jun 12, 2013 5:06 pm
Error reading item 'ISTART' from file INCAR.

Last post by admin « Mon Jun 10, 2013 12:51 pm
Replies: 4
by handberg » Wed Jul 18, 2007 9:33 pm

4 Replies

18720 Views

Last post by admin
Mon Jun 10, 2013 12:51 pm
How to specify NEB and cNEB?

Last post by kambiz « Wed Jun 05, 2013 1:27 am
Replies: 1
by rogerwol » Fri May 31, 2013 2:47 pm

1 Replies

5333 Views

Last post by kambiz
Wed Jun 05, 2013 1:27 am
MPI was killed after several steps in npt MD, running at vasp5.3.3

Last post by admin « Mon Jun 03, 2013 1:23 pm
Replies: 1
by Emerald » Wed May 29, 2013 8:29 pm

1 Replies

4671 Views

Last post by admin
Mon Jun 03, 2013 1:23 pm
Relaxation (ISIF = 2,3,4) significantly differs from literature (both theoretical and experimental)

Last post by trashcan7 « Sun Jun 02, 2013 1:30 pm
Replies: 3
by trashcan7 » Fri May 31, 2013 9:13 am

3 Replies

7175 Views

Last post by trashcan7
Sun Jun 02, 2013 1:30 pm
Problems running VASP in parallel mode with 5 nodes/64 cores per node/ 250 Gb RAM per node

Last post by 5-1051 « Thu May 30, 2013 3:53 pm
Replies: 4
by 5-1051 » Mon May 27, 2013 11:20 am

4 Replies

7223 Views

Last post by 5-1051
Thu May 30, 2013 3:53 pm
Missing DOS peak

Last post by hhe « Fri May 24, 2013 7:33 pm
Replies: 1
by hhe » Sat May 11, 2013 9:19 pm

1 Replies

4485 Views

Last post by hhe
Fri May 24, 2013 7:33 pm
HF problem

Last post by marsoner « Fri May 24, 2013 4:38 pm
Replies: 2
by marsoner » Wed May 22, 2013 9:50 am

2 Replies

5678 Views

Last post by marsoner
Fri May 24, 2013 4:38 pm
[VASP-5.3.2] Hybrid calculation error massage

Last post by admin « Thu May 23, 2013 10:17 am
Replies: 1
by yuhao » Thu May 23, 2013 4:46 am

1 Replies

5800 Views

Last post by admin
Thu May 23, 2013 10:17 am
total energy increases during geometry optimization

Last post by mindflying « Thu May 16, 2013 5:44 am
Replies: 6
by mindflying » Thu May 02, 2013 2:42 am

6 Replies

10421 Views

Last post by mindflying
Thu May 16, 2013 5:44 am

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