Using VASP

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Transition State Calculations

Last post by admin « Tue Jul 05, 2005 2:34 pm
Replies: 1
by anagaw » Mon Jul 04, 2005 9:30 pm

1 Replies

18112 Views

Last post by admin
Tue Jul 05, 2005 2:34 pm
Geometry Convergence Problems

Last post by aarondesk « Tue Jul 05, 2005 2:31 pm
Replies: 3
by aarondesk » Fri Jul 01, 2005 2:56 pm

3 Replies

24317 Views

Last post by aarondesk
Tue Jul 05, 2005 2:31 pm
Question about Spin Polarized calculations

Last post by graeme « Sat Jul 02, 2005 6:24 am
Replies: 4
by buber » Thu Jun 23, 2005 10:24 pm

4 Replies

33208 Views

Last post by graeme
Sat Jul 02, 2005 6:24 am
Magnetization on each ion

Last post by admin « Fri Jul 01, 2005 2:09 pm
Replies: 1
by bth20 » Fri Jul 01, 2005 10:58 am

1 Replies

20726 Views

Last post by admin
Fri Jul 01, 2005 2:09 pm
Frequency calculation again

Last post by admin « Fri Jul 01, 2005 1:48 pm
Replies: 1
by baki » Fri Jul 01, 2005 7:17 am

1 Replies

18142 Views

Last post by admin
Fri Jul 01, 2005 1:48 pm
About exteral pressure and DOS

Last post by admin « Wed Jun 29, 2005 1:13 pm
Replies: 2
by hehui » Tue Jun 28, 2005 12:59 am

2 Replies

21546 Views

Last post by admin
Wed Jun 29, 2005 1:13 pm
How make POSCAR if atom take a half site

Last post by admin « Fri Jun 24, 2005 12:04 pm
Replies: 1
by wei » Wed Jun 22, 2005 11:01 pm

1 Replies

18930 Views

Last post by admin
Fri Jun 24, 2005 12:04 pm
Why does the program stop?

Last post by admin « Tue Jun 21, 2005 11:57 am
Replies: 1
by MDrizzle » Tue Jun 21, 2005 10:39 am

1 Replies

19618 Views

Last post by admin
Tue Jun 21, 2005 11:57 am
About COOP again !

Last post by admin « Mon Jun 20, 2005 9:35 am
Replies: 1
by shein » Wed Apr 20, 2005 10:53 am

1 Replies

24271 Views

Last post by admin
Mon Jun 20, 2005 9:35 am
Plot vibrational density of states

Last post by aarondesk « Fri Jun 17, 2005 6:28 pm
Replies: 2
by masobhy » Tue Jun 07, 2005 3:09 am

2 Replies

26134 Views

Last post by aarondesk
Fri Jun 17, 2005 6:28 pm
how to make the space group change?

Last post by admin « Fri Jun 17, 2005 1:44 pm
Replies: 1
by hehui » Fri Jun 17, 2005 1:07 am

1 Replies

23090 Views

Last post by admin
Fri Jun 17, 2005 1:44 pm
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

62137 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

28972 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

27055 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

27589 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

28061 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

30726 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

32715 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

29382 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

35745 Views

Last post by admin
Wed Apr 27, 2005 10:49 am

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