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Bandgap problems of bulk GaAs with G0W0 calculation

Last post by admin « Thu Oct 31, 2013 1:18 pm
Replies: 1
by Ken-Ming Lin » Thu Oct 31, 2013 3:24 am

1 Replies

2426 Views

Last post by admin
Thu Oct 31, 2013 1:18 pm
Not writing all the atom species in the OUTCAR

Last post by admin « Wed Oct 30, 2013 4:59 pm
Replies: 1
by l.bellarosa » Mon Oct 28, 2013 12:52 pm

1 Replies

2283 Views

Last post by admin
Wed Oct 30, 2013 4:59 pm
EDWAV internal error in gamma-only HSE calculations

Last post by kayahan « Mon Oct 21, 2013 2:28 am
Replies: 3
by xamnidar » Mon Nov 05, 2012 7:30 pm

3 Replies

7575 Views

Last post by kayahan
Mon Oct 21, 2013 2:28 am
when I do structural optimization with high accuracy, I find the calculation is difficult to converg

Last post by ljzhang123 « Wed Oct 16, 2013 2:17 pm
Replies: 4
by ljzhang123 » Wed Oct 16, 2013 10:07 am

4 Replies

6832 Views

Last post by ljzhang123
Wed Oct 16, 2013 2:17 pm
this version requires full pseudpotential generation information

Last post by Jomber23 « Mon Sep 23, 2013 11:41 pm
Replies: 2
by Fm3m » Tue May 07, 2013 3:42 pm

2 Replies

5056 Views

Last post by Jomber23
Mon Sep 23, 2013 11:41 pm
Very long calculations.

Last post by GP « Mon Sep 23, 2013 6:31 pm
Replies: 2
by GP » Sat Sep 21, 2013 7:20 pm

2 Replies

3179 Views

Last post by GP
Mon Sep 23, 2013 6:31 pm
IBZKPT error - revised

Last post by Tong Lijia « Thu Sep 12, 2013 7:09 am
Replies: 12
by bth20 » Fri Oct 28, 2005 9:17 pm

12 Replies

38384 Views

Last post by Tong Lijia
Thu Sep 12, 2013 7:09 am
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

2999 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

2280 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

3297 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

2461 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

2665 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

2187 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

2608 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

5401 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

6964 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

2042 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

3508 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

8646 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

4650 Views

Last post by vanderro
Thu Aug 01, 2013 8:24 pm

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