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Weird Energy difference in two runs, bug in LDA?

Last post by boris « Mon Sep 19, 2011 8:00 pm
Replies: 2
by jzzhao » Sat May 08, 2010 12:46 pm

2 Replies

2765 Views

Last post by boris
Mon Sep 19, 2011 8:00 pm
Starting NonCollinear NEB calculations

Last post by Neutrino « Fri Sep 16, 2011 6:21 pm
Replies: 2
by Neutrino » Thu Sep 15, 2011 1:39 am

2 Replies

3284 Views

Last post by Neutrino
Fri Sep 16, 2011 6:21 pm
VASP5.2.11 relaxation of defect structure cannot finish

Last post by admin « Fri Sep 16, 2011 5:05 pm
Replies: 8
by chorawut » Sun Jul 24, 2011 7:11 am

8 Replies

5689 Views

Last post by admin
Fri Sep 16, 2011 5:05 pm
Use Minkowski reduced unit cell

Last post by admin « Fri Sep 16, 2011 5:01 pm
Replies: 2
by legoses » Thu Sep 08, 2011 9:09 pm

2 Replies

2473 Views

Last post by admin
Fri Sep 16, 2011 5:01 pm
HF type parallel calculation fails with a large structure

Last post by admin « Fri Sep 16, 2011 4:52 pm
Replies: 2
by taizo » Wed Apr 27, 2011 4:39 pm

2 Replies

2825 Views

Last post by admin
Fri Sep 16, 2011 4:52 pm
report Bug in VASP5.2.12

Last post by chorawut « Thu Sep 01, 2011 2:07 pm
Replies: 4
by chorawut » Fri Aug 26, 2011 11:45 am

4 Replies

3965 Views

Last post by chorawut
Thu Sep 01, 2011 2:07 pm
DOS CALCULATION,

Last post by shindepp7484 « Thu Sep 01, 2011 10:04 am
Replies: 5
by gopikrishnancr » Sat Jun 25, 2011 7:57 am

5 Replies

3371 Views

Last post by shindepp7484
Thu Sep 01, 2011 10:04 am
site projected DOS calculations

Last post by admin « Wed Aug 31, 2011 4:18 pm
Replies: 1
by badrinarayanan85 » Thu Jul 21, 2011 11:51 pm

1 Replies

2316 Views

Last post by admin
Wed Aug 31, 2011 4:18 pm
PROCAR format for more than 1000 bands

Last post by vikaskashid « Tue Aug 09, 2011 3:20 pm
Replies: 2
by vikaskashid » Tue Aug 02, 2011 12:12 pm

2 Replies

2419 Views

Last post by vikaskashid
Tue Aug 09, 2011 3:20 pm
How to save CHGCAR in each electronic scf step and continue from an previously unfinished job?

Last post by boris « Mon Aug 01, 2011 7:26 pm
Replies: 1
by fzcsydl » Mon Aug 01, 2011 7:24 pm

1 Replies

2189 Views

Last post by boris
Mon Aug 01, 2011 7:26 pm
VASP 5.2.8 slab claculation terminates after 1st ionic loop

Last post by vasp_fan « Thu Jul 28, 2011 5:54 am
Replies: 1
by vasp_fan » Wed Jul 27, 2011 12:09 pm

1 Replies

2718 Views

Last post by vasp_fan
Thu Jul 28, 2011 5:54 am
WAVECAR

Last post by kambiz « Fri Jul 15, 2011 4:51 am
Replies: 2
by kambiz » Thu Jul 14, 2011 8:42 am

2 Replies

2213 Views

Last post by kambiz
Fri Jul 15, 2011 4:51 am
LORBIT=5 with spin-orbit interaction

Last post by jeng « Wed Jul 13, 2011 9:35 am
Replies: 2
by jeng » Wed May 18, 2011 10:59 am

2 Replies

2404 Views

Last post by jeng
Wed Jul 13, 2011 9:35 am
non-collinear spin vasp 4.6.28 vs 5.2.11

Last post by boris « Tue Jul 12, 2011 11:29 pm
Replies: 10
by Zeila » Wed Jun 01, 2011 6:30 pm

10 Replies

7543 Views

Last post by boris
Tue Jul 12, 2011 11:29 pm
WAVECAR file size limitation?

Last post by ye « Fri Jul 01, 2011 10:26 pm
Replies: 4
by ye » Thu May 19, 2011 6:11 pm

4 Replies

3666 Views

Last post by ye
Fri Jul 01, 2011 10:26 pm
SETDIJ_AVEC_ syntax glitches

Last post by gVallverdu « Thu Jun 23, 2011 2:28 pm
Replies: 3
by mgsternberg » Wed Dec 01, 2010 12:21 am

3 Replies

3449 Views

Last post by gVallverdu
Thu Jun 23, 2011 2:28 pm
Nudged Elastic Band Method

Last post by kambiz « Thu Jun 23, 2011 8:17 am
Replies: 1
by nate84 » Wed Jun 22, 2011 11:29 pm

1 Replies

2724 Views

Last post by kambiz
Thu Jun 23, 2011 8:17 am
new VASP Manual?

Last post by Danny « Fri Jun 17, 2011 12:17 am
Replies: 4
by spchen » Thu Nov 13, 2008 3:04 pm

4 Replies

5258 Views

Last post by Danny
Fri Jun 17, 2011 12:17 am
insufficient virtual memory

Last post by mantega « Thu Jun 16, 2011 7:16 pm
Replies: 3
by mantega » Wed Jun 08, 2011 6:10 pm

3 Replies

7775 Views

Last post by mantega
Thu Jun 16, 2011 7:16 pm
DOS calculation with HS06 functionals

Last post by yasin « Thu Jun 16, 2011 7:03 pm
Replies: 7
by spakinfo » Mon Jun 07, 2010 6:37 am

7 Replies

6562 Views

Last post by yasin
Thu Jun 16, 2011 7:03 pm

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