Using VASP

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Electronic convergence problems

Last post by admin « Tue Jun 14, 2005 11:37 am
Replies: 8
by buber » Thu Jun 02, 2005 4:46 pm

8 Replies

48447 Views

Last post by admin
Tue Jun 14, 2005 11:37 am
Stress's definition?

Last post by admin « Mon Jun 13, 2005 11:11 am
Replies: 2
by shmily » Wed Jun 01, 2005 11:29 am

2 Replies

20712 Views

Last post by admin
Mon Jun 13, 2005 11:11 am
DOS and band in Si slab model

Last post by admin « Mon Jun 13, 2005 10:54 am
Replies: 1
by yzhu » Wed Jun 01, 2005 3:03 pm

1 Replies

19394 Views

Last post by admin
Mon Jun 13, 2005 10:54 am
Spin Orbit and Noncollinear Calculations

Last post by admin « Mon Jun 13, 2005 9:25 am
Replies: 1
by bth20 » Sat May 14, 2005 12:14 pm

1 Replies

19766 Views

Last post by admin
Mon Jun 13, 2005 9:25 am
Could VASP calculate the Van der Waals interaction well?

Last post by admin « Thu Jun 09, 2005 6:58 am
Replies: 1
by ichthyornis » Thu Jun 02, 2005 1:39 pm

1 Replies

19875 Views

Last post by admin
Thu Jun 09, 2005 6:58 am
when does ISIF=3 decide to change cell parameters?

Last post by admin « Mon May 23, 2005 8:10 am
Replies: 1
by eijck » Thu May 19, 2005 4:32 pm

1 Replies

22010 Views

Last post by admin
Mon May 23, 2005 8:10 am
LDA+U

Last post by admin « Thu Apr 28, 2005 1:57 pm
Replies: 1
by windiks » Tue Feb 01, 2005 9:34 pm

1 Replies

24039 Views

Last post by admin
Thu Apr 28, 2005 1:57 pm
dielectric constant

Last post by admin « Thu Apr 28, 2005 1:54 pm

by admin » Thu Apr 28, 2005 1:54 pm

0 Replies

21355 Views

Last post by admin
Thu Apr 28, 2005 1:54 pm
GGA and VOSKOWN use

Last post by admin « Wed Apr 27, 2005 10:49 am
Replies: 1
by rc1ph » Tue Apr 26, 2005 6:32 pm

1 Replies

26671 Views

Last post by admin
Wed Apr 27, 2005 10:49 am
GGA+U and adsorption site preference

Last post by admin « Fri Apr 22, 2005 2:44 pm
Replies: 2
by dcurulla » Tue Mar 08, 2005 8:07 am

2 Replies

34774 Views

Last post by admin
Fri Apr 22, 2005 2:44 pm
how to handle the problem about "Sub-Space-Matrix is not hermitian in DAV "

Last post by admin « Fri Apr 22, 2005 2:29 pm

by admin » Fri Apr 22, 2005 2:29 pm

0 Replies

26569 Views

Last post by admin
Fri Apr 22, 2005 2:29 pm
anti-ferromagnetic Fe

Last post by admin « Fri Apr 22, 2005 2:18 pm
Replies: 1
by peterklaver » Thu Apr 21, 2005 10:43 am

1 Replies

28957 Views

Last post by admin
Fri Apr 22, 2005 2:18 pm
PBE functional

Last post by admin « Mon Apr 11, 2005 1:37 pm
Replies: 1
by adelvitt » Wed Mar 16, 2005 12:04 pm

1 Replies

29145 Views

Last post by admin
Mon Apr 11, 2005 1:37 pm
deuterium pseudopotential

Last post by admin « Mon Apr 11, 2005 1:35 pm
Replies: 1
by davidloffreda » Fri Mar 18, 2005 10:21 am

1 Replies

29625 Views

Last post by admin
Mon Apr 11, 2005 1:35 pm
Spin polarised calculation

Last post by Veronika « Thu Mar 03, 2005 8:43 am
Replies: 1
by baki » Wed Mar 02, 2005 2:41 pm

1 Replies

28878 Views

Last post by Veronika
Thu Mar 03, 2005 8:43 am
About spin project in Spin-orbital coupling calculation

Last post by admin « Tue Feb 22, 2005 3:41 pm

by admin » Tue Feb 22, 2005 3:41 pm

0 Replies

26327 Views

Last post by admin
Tue Feb 22, 2005 3:41 pm

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