Using VASP

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Calculation of core-level shifts

Last post by admin « Wed Nov 16, 2005 3:41 pm
Replies: 2
by Oettking » Mon Nov 07, 2005 7:50 am

2 Replies

23047 Views

Last post by admin
Wed Nov 16, 2005 3:41 pm
Total Energy

Last post by cdt9f « Tue Nov 15, 2005 1:58 pm
Replies: 6
by fabella » Sat Nov 12, 2005 1:16 pm

6 Replies

43320 Views

Last post by cdt9f
Tue Nov 15, 2005 1:58 pm
phase factor in PROCAR

Last post by georg « Wed Nov 02, 2005 10:35 pm
Replies: 1
by brsahu » Tue Nov 01, 2005 4:40 pm

1 Replies

19605 Views

Last post by georg
Wed Nov 02, 2005 10:35 pm
Crystal/Structure Builder Software

Last post by bruent « Tue Oct 25, 2005 9:26 am
Replies: 3
by grassman » Fri Oct 07, 2005 12:13 am

3 Replies

28589 Views

Last post by bruent
Tue Oct 25, 2005 9:26 am
local density of states

Last post by bruent « Tue Oct 25, 2005 9:23 am
Replies: 2
by edurgun » Fri Oct 14, 2005 10:00 pm

2 Replies

25471 Views

Last post by bruent
Tue Oct 25, 2005 9:23 am
final state core level shift calculations

Last post by abitees « Sat Oct 08, 2005 10:47 am
Replies: 2
by abitees » Thu Sep 29, 2005 2:01 am

2 Replies

23269 Views

Last post by abitees
Sat Oct 08, 2005 10:47 am
new nudged elastic band questions

Last post by graeme « Mon Oct 03, 2005 2:34 pm
Replies: 1
by mhyman » Sun Oct 02, 2005 8:06 pm

1 Replies

22543 Views

Last post by graeme
Mon Oct 03, 2005 2:34 pm
about dipole moment and electronic polarization

Last post by xianghjun « Sun Oct 02, 2005 12:11 pm
Replies: 3
by zj » Wed Jun 15, 2005 9:50 am

3 Replies

30501 Views

Last post by xianghjun
Sun Oct 02, 2005 12:11 pm
Dos of different moleculs

Last post by des « Wed Sep 21, 2005 8:45 pm
Replies: 2
by des » Sun Sep 18, 2005 8:23 pm

2 Replies

21314 Views

Last post by des
Wed Sep 21, 2005 8:45 pm
atomic charge in OUTCAR file

Last post by priya « Wed Sep 21, 2005 7:22 am
Replies: 1
by Gilles » Mon Sep 19, 2005 8:48 am

1 Replies

23563 Views

Last post by priya
Wed Sep 21, 2005 7:22 am
neb of spontaneous reactions

Last post by admin « Fri Sep 16, 2005 12:25 pm
Replies: 4
by mhyman » Sun Aug 14, 2005 2:26 am

4 Replies

26947 Views

Last post by admin
Fri Sep 16, 2005 12:25 pm
what is the meaning of this?

Last post by admin « Fri Sep 16, 2005 12:09 pm
Replies: 2
by konglt » Tue Aug 30, 2005 12:18 pm

2 Replies

22561 Views

Last post by admin
Fri Sep 16, 2005 12:09 pm
when will the NEB calculation coverge?

Last post by admin « Fri Sep 16, 2005 11:30 am
Replies: 8
by whzhang » Thu Jul 21, 2005 2:16 pm

8 Replies

46586 Views

Last post by admin
Fri Sep 16, 2005 11:30 am
interatomic potentials

Last post by konglt « Wed Sep 07, 2005 4:44 pm
Replies: 2
by brsahu » Tue Aug 30, 2005 8:40 pm

2 Replies

21562 Views

Last post by konglt
Wed Sep 07, 2005 4:44 pm
Continuation of Noncollinear jobs

Last post by Veronika « Thu Sep 01, 2005 7:38 am
Replies: 1
by bth20 » Wed Aug 31, 2005 4:37 pm

1 Replies

17531 Views

Last post by Veronika
Thu Sep 01, 2005 7:38 am
how the external pressure is calculated in VASP

Last post by admin « Tue Aug 30, 2005 3:38 pm
Replies: 1
by fra » Tue Aug 23, 2005 11:17 am

1 Replies

20562 Views

Last post by admin
Tue Aug 30, 2005 3:38 pm
Why is the unit cell changing in the output file

Last post by jaburt « Wed Aug 17, 2005 8:41 pm
Replies: 2
by jaburt » Fri Aug 12, 2005 1:56 pm

2 Replies

21327 Views

Last post by jaburt
Wed Aug 17, 2005 8:41 pm
POSCAR file

Last post by admin « Wed Aug 17, 2005 1:12 pm
Replies: 1
by yilmaz » Fri Aug 12, 2005 6:02 pm

1 Replies

18516 Views

Last post by admin
Wed Aug 17, 2005 1:12 pm
About LDIPOL

Last post by konglt « Mon Aug 15, 2005 1:05 pm
Replies: 3
by nujjj » Wed Feb 09, 2005 7:51 pm

3 Replies

28713 Views

Last post by konglt
Mon Aug 15, 2005 1:05 pm
scalar relativistic calculations

Last post by doris « Thu Aug 11, 2005 1:11 pm
Replies: 1
by widom » Mon Jul 18, 2005 6:03 pm

1 Replies

20400 Views

Last post by doris
Thu Aug 11, 2005 1:11 pm

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