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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

2246 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

2655 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

5463 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

7081 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

2104 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

3572 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

8791 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

4724 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

4456 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

2351 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

2577 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

3484 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

6397 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

6700 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

6146 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

3444 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

10222 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

10505 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

8609 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

3455 Views

Last post by paultim374
Sat Jun 29, 2013 2:46 pm

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