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Very slow self-consistency on the first ionic relaxation step

Last post by cwandtj « Wed Jun 18, 2008 1:30 am
Replies: 2
by lanli » Sat Jun 07, 2008 5:31 am

2 Replies

8690 Views

Last post by cwandtj
Wed Jun 18, 2008 1:30 am
DIPOL tag meaning

Last post by admin « Fri Jun 06, 2008 5:27 pm
Replies: 1
by david6477 » Thu Jun 05, 2008 12:22 am

1 Replies

8769 Views

Last post by admin
Fri Jun 06, 2008 5:27 pm
ENCUT problem

Last post by admin « Wed Jun 04, 2008 11:36 am
Replies: 1
by TAT » Wed Jun 04, 2008 6:46 am

1 Replies

6666 Views

Last post by admin
Wed Jun 04, 2008 11:36 am
exit status 253

Last post by job « Tue Jun 03, 2008 5:48 pm
Replies: 1
by tholme » Tue May 20, 2008 10:50 pm

1 Replies

10372 Views

Last post by job
Tue Jun 03, 2008 5:48 pm
OMP Abort - Did many tries but no one worked

Last post by admin « Mon Jun 02, 2008 12:46 pm
Replies: 1
by baolkvn » Sun Jun 01, 2008 6:34 pm

1 Replies

7419 Views

Last post by admin
Mon Jun 02, 2008 12:46 pm
calculation of energy barrier

Last post by admin « Thu May 29, 2008 1:13 pm
Replies: 1
by danghongli » Sun Apr 20, 2008 9:51 pm

1 Replies

7274 Views

Last post by admin
Thu May 29, 2008 1:13 pm
calculations with constrained symmetry

Last post by admin « Tue May 27, 2008 1:47 pm
Replies: 1
by edurgun » Mon May 26, 2008 8:20 pm

1 Replies

9291 Views

Last post by admin
Tue May 27, 2008 1:47 pm
segmentation fault, exit error 6

Last post by admin « Mon May 26, 2008 4:10 pm
Replies: 1
by tholme » Mon May 26, 2008 12:37 am

1 Replies

7293 Views

Last post by admin
Mon May 26, 2008 4:10 pm
Allocate error 494: Allocation of Array with extent of 83928000 failed

Last post by baolkvn « Thu May 22, 2008 8:59 am
Replies: 4
by baolkvn » Tue May 20, 2008 9:31 am

4 Replies

14915 Views

Last post by baolkvn
Thu May 22, 2008 8:59 am
puzzles

Last post by fegg7502 « Thu May 22, 2008 5:25 am
Replies: 4
by fegg7502 » Sun May 04, 2008 2:11 am

4 Replies

11616 Views

Last post by fegg7502
Thu May 22, 2008 5:25 am
Crashing Structure & "hit a member that was already found in another star"

Last post by sven « Mon May 19, 2008 12:13 pm
Replies: 4
by Greekman » Wed Aug 01, 2007 8:52 am

4 Replies

12475 Views

Last post by sven
Mon May 19, 2008 12:13 pm
How to creat input files for a supercell

Last post by baolkvn « Mon May 19, 2008 7:53 am
Replies: 2
by baolkvn » Tue May 13, 2008 8:58 am

2 Replies

10292 Views

Last post by baolkvn
Mon May 19, 2008 7:53 am
binding energy

Last post by forsdan « Sat May 17, 2008 8:00 pm
Replies: 1
by xinhuanwen » Sat May 17, 2008 4:09 pm

1 Replies

9776 Views

Last post by forsdan
Sat May 17, 2008 8:00 pm
Unreasonable total energy

Last post by forsdan « Sat May 17, 2008 6:05 pm
Replies: 1
by forsdan » Sat May 17, 2008 5:29 pm

1 Replies

6930 Views

Last post by forsdan
Sat May 17, 2008 6:05 pm
whether the wave-functions in WAVECAR file are normalized?

Last post by admin « Fri May 16, 2008 3:35 pm
Replies: 1
by renh » Thu Apr 17, 2008 12:46 pm

1 Replies

7724 Views

Last post by admin
Fri May 16, 2008 3:35 pm
spin-orbit coupling

Last post by admin « Thu May 15, 2008 1:48 pm
Replies: 1
by rudra-b » Wed May 14, 2008 11:12 am

1 Replies

10116 Views

Last post by admin
Thu May 15, 2008 1:48 pm
error in berry phase calculation of NaF

Last post by bighunter « Tue May 13, 2008 3:05 am
Replies: 2
by bighunter » Wed Mar 26, 2008 1:09 pm

2 Replies

9083 Views

Last post by bighunter
Tue May 13, 2008 3:05 am
FFTW on 64-bit platforms

Last post by job « Mon May 05, 2008 7:52 am
Replies: 4
by job » Fri Jan 27, 2006 10:37 am

4 Replies

13925 Views

Last post by job
Mon May 05, 2008 7:52 am
broken molecule

Last post by admin « Tue Apr 29, 2008 10:15 am
Replies: 1
by sabrialkis » Thu Apr 24, 2008 9:17 pm

1 Replies

6648 Views

Last post by admin
Tue Apr 29, 2008 10:15 am
energy & force tolerance

Last post by admin « Tue Apr 29, 2008 7:13 am
Replies: 3
by kusiu » Fri Jan 25, 2008 1:30 pm

3 Replies

11642 Views

Last post by admin
Tue Apr 29, 2008 7:13 am

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