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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

8032 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

3309 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

3005 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

12538 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

2946 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

2296 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

3686 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

3621 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

2190 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

2598 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

2921 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

5131 Views

Last post by mindflying
Thu May 16, 2013 5:44 am
LORBIT=11 DOSCAR from GGA+U

Last post by tilak « Tue May 14, 2013 10:21 pm
Replies: 2
by tilak » Tue May 14, 2013 9:50 am

2 Replies

2643 Views

Last post by tilak
Tue May 14, 2013 10:21 pm
Large Number of Atoms and Magmom

Last post by yangxunscience « Sun May 12, 2013 10:37 am
Replies: 12
by aarondesk » Sun Feb 19, 2006 1:27 am

12 Replies

17681 Views

Last post by yangxunscience
Sun May 12, 2013 10:37 am
DOSCAR issue

Last post by tilak « Fri May 10, 2013 8:27 am
Replies: 1
by dmazumdar » Thu May 09, 2013 5:57 pm

1 Replies

2020 Views

Last post by tilak
Fri May 10, 2013 8:27 am
different nn distances !

Last post by tilak « Wed May 08, 2013 12:43 pm
Replies: 1
by tilak » Wed May 08, 2013 11:25 am

1 Replies

1916 Views

Last post by tilak
Wed May 08, 2013 12:43 pm
VASP 5.3: INITWF: ERROR, W inconsistently dimensioned: 1

Last post by VB « Tue May 07, 2013 2:46 pm
Replies: 3
by -bash: » Wed Dec 19, 2012 1:24 pm

3 Replies

5820 Views

Last post by VB
Tue May 07, 2013 2:46 pm
Error IERR=5 in band structures calculation spin polarized

Last post by ccccc « Fri May 03, 2013 11:51 am
Replies: 2
by jfjobidon » Tue Apr 16, 2013 10:51 am

2 Replies

8711 Views

Last post by ccccc
Fri May 03, 2013 11:51 am
Convergence problems on HCP and BCC primitive unit cells when number of cores > 1

Last post by juhL « Thu May 02, 2013 4:07 pm
Replies: 2
by rbgetman » Tue Dec 20, 2011 9:31 pm

2 Replies

3170 Views

Last post by juhL
Thu May 02, 2013 4:07 pm
Limit in ENMAX for parallel simulations

Last post by peter9091 « Thu May 02, 2013 6:59 am
Replies: 4
by ivasan » Wed Jan 30, 2013 8:47 pm

4 Replies

4122 Views

Last post by peter9091
Thu May 02, 2013 6:59 am

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