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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

3620 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

5125 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

3586 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

7710 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

5541 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

6330 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

5982 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

6031 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

3493 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

4199 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

6736 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

4788 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

7195 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

3341 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

6162 Views

Last post by admin
Tue Apr 29, 2008 7:13 am
Use of RWIGS parameter

Last post by admin « Wed Apr 16, 2008 10:55 am
Replies: 1
by Anbenali » Mon Apr 14, 2008 2:10 pm

1 Replies

3232 Views

Last post by admin
Wed Apr 16, 2008 10:55 am
Wigner-Seitz radii and CHGCAR

Last post by alexabr « Wed Apr 09, 2008 8:18 pm
Replies: 7
by alexabr » Thu Apr 03, 2008 11:19 am

7 Replies

9421 Views

Last post by alexabr
Wed Apr 09, 2008 8:18 pm
Possible bug in Sodium semi-core GGA PW91 pseudopotential: pot_GGA/Na_pv

Last post by admin « Mon Apr 07, 2008 7:59 am
Replies: 1
by Brane » Tue Apr 01, 2008 2:24 am

1 Replies

4027 Views

Last post by admin
Mon Apr 07, 2008 7:59 am
Problems restarting with the CHGCAR-file only

Last post by admin « Thu Apr 03, 2008 2:17 pm
Replies: 1
by boris » Thu Apr 03, 2008 12:59 pm

1 Replies

3883 Views

Last post by admin
Thu Apr 03, 2008 2:17 pm
VASP stress calculation

Last post by admin « Tue Apr 01, 2008 7:50 am
Replies: 1
by louyang » Sun Mar 16, 2008 7:06 am

1 Replies

3872 Views

Last post by admin
Tue Apr 01, 2008 7:50 am

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