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in vasp5.2， when increase the ENCUT , vasp failed!

Last post by admin « Mon Nov 14, 2011 2:55 pm
Replies: 1
by tomimy » Sun Nov 13, 2011 4:35 am

1 Replies

5068 Views

Last post by admin
Mon Nov 14, 2011 2:55 pm
Does the energy include the vdW correction energy?

Last post by kelum « Thu Nov 10, 2011 5:20 pm
Replies: 1
by mcandg03 » Wed Nov 09, 2011 9:47 pm

1 Replies

5123 Views

Last post by kelum
Thu Nov 10, 2011 5:20 pm
REAL_OPT: internal ERROR

Last post by admin « Fri Nov 04, 2011 2:26 pm
Replies: 1
by jcconesa » Fri Nov 04, 2011 12:08 pm

1 Replies

7565 Views

Last post by admin
Fri Nov 04, 2011 2:26 pm
Number of electrons during Density of States Calculations

Last post by Neutrino « Thu Nov 03, 2011 11:39 pm
Replies: 2
by Neutrino » Sat Oct 01, 2011 1:59 pm

2 Replies

6324 Views

Last post by Neutrino
Thu Nov 03, 2011 11:39 pm
Forces are wrong in vasp.5.2.11 compiled with ifort 12

Last post by jber « Tue Oct 18, 2011 12:33 pm
Replies: 8
by rrobles » Tue Jul 26, 2011 3:05 pm

8 Replies

12906 Views

Last post by jber
Tue Oct 18, 2011 12:33 pm
number of cells and number of vectors did not agree???

Last post by hess8 « Mon Oct 17, 2011 8:54 pm
Replies: 2
by wjfriend » Sun Sep 25, 2011 5:45 am

2 Replies

17066 Views

Last post by hess8
Mon Oct 17, 2011 8:54 pm
Spurious characters in forum posts with "code" delimiter

Last post by jber « Mon Oct 10, 2011 12:52 pm
Replies: 1
by jber » Sat Oct 08, 2011 3:34 pm

1 Replies

4695 Views

Last post by jber
Mon Oct 10, 2011 12:52 pm
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

6409 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

6942 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

13143 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

6223 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

6337 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

9148 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

9042 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

5049 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

5581 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

4962 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

5685 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

5508 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

5848 Views

Last post by jeng
Wed Jul 13, 2011 9:35 am

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