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LORBIT=12: Bug, intended behavior, or my mistake?

Last post by admin « Mon Sep 09, 2013 1:50 pm
Replies: 2
by bmalone » Fri Aug 30, 2013 10:26 pm

2 Replies

2904 Views

Last post by admin
Mon Sep 09, 2013 1:50 pm
restarting vibrational calculation

Last post by admin « Mon Sep 02, 2013 2:08 pm
Replies: 1
by kmkumar » Sat Aug 31, 2013 3:10 pm

1 Replies

2190 Views

Last post by admin
Mon Sep 02, 2013 2:08 pm
Error in NEB calculations

Last post by admin « Thu Aug 29, 2013 10:54 am
Replies: 1
by KNG208 » Thu May 30, 2013 8:55 pm

1 Replies

3181 Views

Last post by admin
Thu Aug 29, 2013 10:54 am
more than expected values in DOSCAR with LORBIT=11 VASP 5.2.3

Last post by admin « Thu Aug 29, 2013 10:51 am
Replies: 1
by antonio » Thu Jul 11, 2013 6:46 pm

1 Replies

2353 Views

Last post by admin
Thu Aug 29, 2013 10:51 am
INCAR continuation

Last post by admin « Thu Aug 29, 2013 10:39 am
Replies: 1
by paulfons » Sun Aug 04, 2013 5:17 am

1 Replies

2545 Views

Last post by admin
Thu Aug 29, 2013 10:39 am
energy change of last step is still big

Last post by admin « Thu Aug 29, 2013 10:36 am
Replies: 1
by freshwind » Mon Aug 05, 2013 10:12 am

1 Replies

2086 Views

Last post by admin
Thu Aug 29, 2013 10:36 am
About the calculations of Partial DOS with ISYM=0

Last post by admin « Thu Aug 29, 2013 10:33 am
Replies: 1
by chenweiguang » Fri Aug 09, 2013 3:44 pm

1 Replies

2506 Views

Last post by admin
Thu Aug 29, 2013 10:33 am
error during Born effective charge calculation : internal error in GENERATE_KPOINTS_TRANS: G vector

Last post by DanSto « Wed Aug 21, 2013 2:22 pm
Replies: 1
by Jordan » Sun Oct 28, 2012 11:08 am

1 Replies

5240 Views

Last post by DanSto
Wed Aug 21, 2013 2:22 pm
About VASP SCF convergence

Last post by m.alaydrus « Thu Aug 15, 2013 12:24 pm
Replies: 2
by fegg7502 » Mon Nov 24, 2008 1:33 pm

2 Replies

6874 Views

Last post by m.alaydrus
Thu Aug 15, 2013 12:24 pm
PREC=High in VASP 5.3 ENCUT??

Last post by admin « Mon Aug 12, 2013 12:59 pm
Replies: 1
by freshwind » Wed Aug 07, 2013 10:28 am

1 Replies

1965 Views

Last post by admin
Mon Aug 12, 2013 12:59 pm
DMFT in VASP

Last post by admin « Fri Aug 02, 2013 2:24 pm
Replies: 1
by freshwind » Tue Jul 30, 2013 9:31 am

1 Replies

3419 Views

Last post by admin
Fri Aug 02, 2013 2:24 pm
help with problem " forrtl: severe (29): file not found, unit 8"

Last post by arguelvis « Fri Aug 02, 2013 8:34 am
Replies: 3
by cougarnie » Thu Apr 22, 2010 4:07 pm

3 Replies

8409 Views

Last post by arguelvis
Fri Aug 02, 2013 8:34 am
ZHEGV failed, returncode = 8 4 98

Last post by vanderro « Thu Aug 01, 2013 8:24 pm
Replies: 1
by ccccc » Tue Jul 23, 2013 4:34 pm

1 Replies

4517 Views

Last post by vanderro
Thu Aug 01, 2013 8:24 pm
Segmentation fault after "entering main loop"

Last post by admin « Wed Jul 24, 2013 5:01 pm
Replies: 1
by bakkedal » Mon Jul 15, 2013 12:26 pm

1 Replies

4227 Views

Last post by admin
Wed Jul 24, 2013 5:01 pm
New release of POTCAR files in vasp.5.3.3

Last post by admin « Wed Jul 24, 2013 4:54 pm
Replies: 1
by Lian » Tue Jul 16, 2013 12:36 pm

1 Replies

2199 Views

Last post by admin
Wed Jul 24, 2013 4:54 pm
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

2448 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

3294 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

6105 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

6254 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

5744 Views

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

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