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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

5968 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

5726 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

6114 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

17832 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

9055 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

7690 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

5942 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

10619 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

12190 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

13658 Views

Last post by yasin
Thu Jun 16, 2011 7:03 pm
spin density problem (vasp5.2.xx)

Last post by bernstei « Thu Jun 16, 2011 5:42 pm
Replies: 7
by superyoyo » Fri Jan 07, 2011 4:49 am

7 Replies

11307 Views

Last post by bernstei
Thu Jun 16, 2011 5:42 pm
Error Message

Last post by wahyu « Wed Jun 15, 2011 2:02 am
Replies: 2
by Oettking » Tue Feb 28, 2006 8:54 am

2 Replies

8734 Views

Last post by wahyu
Wed Jun 15, 2011 2:02 am
DFT-D calculation crashes (segmentation fault)

Last post by ye « Tue Jun 14, 2011 4:17 am
Replies: 1
by ye » Mon Jun 13, 2011 11:36 pm

1 Replies

5809 Views

Last post by ye
Tue Jun 14, 2011 4:17 am
zero volume : can anyone check my poscar?

Last post by tube77 « Tue Jun 07, 2011 2:54 am
Replies: 2
by tube77 » Mon Jun 06, 2011 3:27 am

2 Replies

5776 Views

Last post by tube77
Tue Jun 07, 2011 2:54 am
symmetry error.

Last post by nkxirainbow « Thu Jun 02, 2011 6:39 am
Replies: 2
by nkxirainbow » Mon May 30, 2011 8:55 am

2 Replies

8275 Views

Last post by nkxirainbow
Thu Jun 02, 2011 6:39 am
The default direction for magnetic moment in a collinear calcultaiotns.

Last post by admin « Mon May 23, 2011 7:41 pm
Replies: 3
by Neutrino » Sat May 14, 2011 10:09 am

3 Replies

7592 Views

Last post by admin
Mon May 23, 2011 7:41 pm
Temperature Setting Problem

Last post by admin « Mon May 23, 2011 6:56 pm
Replies: 1
by Neutrino » Sat May 21, 2011 8:21 am

1 Replies

5523 Views

Last post by admin
Mon May 23, 2011 6:56 pm
nitrogen on graphene

Last post by admin « Fri May 13, 2011 7:08 pm
Replies: 1
by Isha » Wed Apr 27, 2011 6:30 am

1 Replies

5117 Views

Last post by admin
Fri May 13, 2011 7:08 pm
How to continue the calculation with IBRION=6

Last post by admin « Fri May 13, 2011 6:40 pm
Replies: 1
by hongding » Fri May 13, 2011 3:32 am

1 Replies

5588 Views

Last post by admin
Fri May 13, 2011 6:40 pm
Atom Specific Denisty of States

Last post by admin « Wed May 11, 2011 5:14 pm
Replies: 1
by kmkumar » Mon Apr 18, 2011 8:36 pm

1 Replies

5349 Views

Last post by admin
Wed May 11, 2011 5:14 pm

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