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PROCAR file for LSORBIT=.true.

Last post by admin « Tue Jul 18, 2006 10:42 am
Replies: 1
by leegeunsik » Tue Jul 18, 2006 6:04 am

1 Replies

7715 Views

Last post by admin
Tue Jul 18, 2006 10:42 am
electronic surface states of Si(111)-7x7

Last post by leegeunsik « Mon Jul 17, 2006 5:58 am
Replies: 2
by leegeunsik » Mon Jul 10, 2006 5:39 am

2 Replies

8970 Views

Last post by leegeunsik
Mon Jul 17, 2006 5:58 am
Relaxation of metals: what to do with entropy term?

Last post by admin « Fri Jul 14, 2006 11:57 am
Replies: 1
by lahaye » Fri Jul 14, 2006 4:00 am

1 Replies

7272 Views

Last post by admin
Fri Jul 14, 2006 11:57 am
sample input for O2/O

Last post by Charles W. Bauschlicher « Thu Jul 13, 2006 9:14 pm
Replies: 2
by Charles W. Bauschlicher » Wed Jul 12, 2006 7:37 pm

2 Replies

9322 Views

Last post by Charles W. Bauschlicher
Thu Jul 13, 2006 9:14 pm
unit cell relaxation ISIF=3

Last post by admin « Wed Jul 12, 2006 11:06 am
Replies: 2
by rpnabar » Tue Jul 11, 2006 4:52 pm

2 Replies

14591 Views

Last post by admin
Wed Jul 12, 2006 11:06 am
SPIN polarized calculation

Last post by baki « Wed Jul 12, 2006 10:52 am
Replies: 3
by baki » Wed Jul 05, 2006 12:00 pm

3 Replies

10470 Views

Last post by baki
Wed Jul 12, 2006 10:52 am
BlÃ¶chl's paper: tetrahedron versus Monkhorst-Pack

Last post by admin « Wed Jul 12, 2006 10:32 am
Replies: 1
by lahaye » Wed Jul 12, 2006 2:58 am

1 Replies

7910 Views

Last post by admin
Wed Jul 12, 2006 10:32 am
NEB calculation

Last post by tjf « Tue Jul 11, 2006 9:45 am
Replies: 10
by Mahesh_chandran » Mon Jun 26, 2006 11:19 am

10 Replies

27922 Views

Last post by tjf
Tue Jul 11, 2006 9:45 am
set rwigs one by one?

Last post by admin « Tue Jul 11, 2006 9:38 am
Replies: 4
by phtobias » Wed Jun 28, 2006 2:46 am

4 Replies

11121 Views

Last post by admin
Tue Jul 11, 2006 9:38 am
spin specification by FERWE and FERDO

Last post by admin « Tue Jul 11, 2006 9:07 am
Replies: 1
by rpnabar » Mon Jul 10, 2006 6:33 pm

1 Replies

7940 Views

Last post by admin
Tue Jul 11, 2006 9:07 am
atom projected magnetic moment

Last post by admin « Tue Jul 11, 2006 8:47 am
Replies: 3
by mhyman » Wed Jul 05, 2006 10:26 pm

3 Replies

11860 Views

Last post by admin
Tue Jul 11, 2006 8:47 am
CHGCAR unit

Last post by admin « Tue Jul 11, 2006 8:40 am
Replies: 3
by sf » Wed Jul 05, 2006 5:21 pm

3 Replies

11775 Views

Last post by admin
Tue Jul 11, 2006 8:40 am
Dielectric Constant and Surface Relaxation

Last post by admin « Tue Jul 11, 2006 8:23 am
Replies: 3
by juwono » Mon Jul 03, 2006 9:42 pm

3 Replies

10210 Views

Last post by admin
Tue Jul 11, 2006 8:23 am
About the set of ISPIN

Last post by Veronika « Mon Jul 03, 2006 7:46 am
Replies: 1
by pqyuan » Fri Jun 30, 2006 2:48 am

1 Replies

6860 Views

Last post by Veronika
Mon Jul 03, 2006 7:46 am
units of POTIM for a vibrational calc.

Last post by admin « Fri Jun 30, 2006 12:23 pm
Replies: 1
by rpnabar » Thu Jun 29, 2006 6:26 pm

1 Replies

7589 Views

Last post by admin
Fri Jun 30, 2006 12:23 pm
PAW vs US-PP

Last post by admin « Fri Jun 30, 2006 11:48 am
Replies: 1
by Hanna » Fri Jun 30, 2006 10:06 am

1 Replies

6958 Views

Last post by admin
Fri Jun 30, 2006 11:48 am
3 Energies in OUTCAR

Last post by cpp6f « Thu Jun 29, 2006 7:11 pm
Replies: 1
by rpnabar » Thu Jun 29, 2006 2:44 pm

1 Replies

7016 Views

Last post by cpp6f
Thu Jun 29, 2006 7:11 pm
specific OUTCAR tags

Last post by rpnabar « Thu Jun 29, 2006 12:07 pm
Replies: 2
by rpnabar » Tue Jun 27, 2006 5:07 pm

2 Replies

7543 Views

Last post by rpnabar
Thu Jun 29, 2006 12:07 pm
extra term in the ewald energy expression in ebs.F?

Last post by cpp6f « Thu Jun 29, 2006 3:39 am
Replies: 1
by cpp6f » Fri May 26, 2006 9:59 pm

1 Replies

7337 Views

Last post by cpp6f
Thu Jun 29, 2006 3:39 am
NEB calculation error

Last post by konglt « Wed Jun 28, 2006 5:52 pm
Replies: 9
by ouarda » Thu Jun 15, 2006 7:27 am

9 Replies

19573 Views

Last post by konglt
Wed Jun 28, 2006 5:52 pm

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