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Compilation errors

Last post by graeme « Wed Oct 10, 2007 5:36 pm
Replies: 1
by hopkins » Wed Oct 10, 2007 1:37 pm

1 Replies

8251 Views

Last post by graeme
Wed Oct 10, 2007 5:36 pm
Please ignore the question

Last post by bai « Wed Oct 10, 2007 7:45 am

by bai » Wed Oct 10, 2007 7:45 am

0 Replies

15794 Views

Last post by bai
Wed Oct 10, 2007 7:45 am
How to edit main.F

Last post by bai « Wed Oct 10, 2007 5:30 am

by bai » Wed Oct 10, 2007 5:30 am

0 Replies

14608 Views

Last post by bai
Wed Oct 10, 2007 5:30 am
Charge analysis and Gaussian CUBE file viewer

Last post by crajesh « Fri Oct 05, 2007 5:31 am
Replies: 5
by egillsk » Wed Oct 05, 2005 4:30 pm

5 Replies

199688 Views

Last post by crajesh
Fri Oct 05, 2007 5:31 am
Bader with Gaussian cube reference

Last post by maharan « Wed Sep 19, 2007 4:22 am
Replies: 7
by maharan » Mon Jun 11, 2007 2:21 pm

7 Replies

110593 Views

Last post by maharan
Wed Sep 19, 2007 4:22 am
Charges on molecules with high symmetry

Last post by maharan « Wed Sep 19, 2007 4:20 am
Replies: 2
by maharan » Mon Sep 17, 2007 5:39 am

2 Replies

54823 Views

Last post by maharan
Wed Sep 19, 2007 4:20 am
bader charge analysis

Last post by graeme « Sat Aug 25, 2007 5:17 am
Replies: 1
by jaisudha » Thu Aug 23, 2007 7:30 pm

1 Replies

9720 Views

Last post by graeme
Sat Aug 25, 2007 5:17 am
questions about using Bader for VASP calculated charge

Last post by graeme « Sat Jun 02, 2007 4:35 pm
Replies: 1
by mjcheng » Sat Jun 02, 2007 4:56 am

1 Replies

8866 Views

Last post by graeme
Sat Jun 02, 2007 4:35 pm
bader charge calculation

Last post by schretien « Thu May 24, 2007 2:50 am
Replies: 2
by dwyuan » Fri May 18, 2007 10:15 pm

2 Replies

71166 Views

Last post by schretien
Thu May 24, 2007 2:50 am
need help in VASP

Last post by graeme « Fri May 18, 2007 5:54 pm
Replies: 1
by infocine » Fri May 18, 2007 4:02 pm

1 Replies

9002 Views

Last post by graeme
Fri May 18, 2007 5:54 pm
Program stops after Edge refining

Last post by graeme « Mon Apr 30, 2007 6:05 am
Replies: 7
by Tamidor » Thu Feb 22, 2007 10:18 am

7 Replies

154016 Views

Last post by graeme
Mon Apr 30, 2007 6:05 am
IONS

Last post by graeme « Tue Apr 24, 2007 2:26 am
Replies: 1
by srcalvo » Mon Apr 23, 2007 7:54 pm

1 Replies

10315 Views

Last post by graeme
Tue Apr 24, 2007 2:26 am
Problems in charge calculations

Last post by mane001 « Sat Mar 24, 2007 12:00 am
Replies: 2
by mane001 » Thu Mar 22, 2007 3:48 pm

2 Replies

73015 Views

Last post by mane001
Sat Mar 24, 2007 12:00 am
AIM charges problem

Last post by graeme « Mon Mar 12, 2007 7:08 pm
Replies: 1
by gopan » Mon Mar 12, 2007 12:56 pm

1 Replies

10282 Views

Last post by graeme
Mon Mar 12, 2007 7:08 pm
disappearing charges on non-H atoms and strange distances

Last post by graeme « Sun Mar 11, 2007 3:46 pm
Replies: 9
by vozny » Wed Mar 07, 2007 11:54 pm

9 Replies

188983 Views

Last post by graeme
Sun Mar 11, 2007 3:46 pm
Hydroxyl Problem

Last post by graeme « Wed Mar 07, 2007 10:38 pm
Replies: 4
by aarondesk » Mon Mar 05, 2007 10:24 pm

4 Replies

115638 Views

Last post by graeme
Wed Mar 07, 2007 10:38 pm
wrong atomic charges

Last post by graeme « Sat Mar 03, 2007 11:41 pm
Replies: 3
by degt » Thu Mar 01, 2007 3:26 pm

3 Replies

93749 Views

Last post by graeme
Sat Mar 03, 2007 11:41 pm
CUBE and periodic conditions

Last post by graeme « Thu Mar 01, 2007 4:57 pm
Replies: 3
by vozny » Thu Mar 01, 2007 3:31 am

3 Replies

95601 Views

Last post by graeme
Thu Mar 01, 2007 4:57 pm
propositions for new versions

Last post by vozny « Thu Mar 01, 2007 3:44 am

by vozny » Thu Mar 01, 2007 3:44 am

0 Replies

58690 Views

Last post by vozny
Thu Mar 01, 2007 3:44 am
Analysis of CHGCAR

Last post by graeme « Thu Mar 01, 2007 3:30 am
Replies: 5
by Warda » Wed Dec 06, 2006 1:26 pm

5 Replies

132924 Views

Last post by graeme
Thu Mar 01, 2007 3:30 am
bader population

Last post by graeme « Thu Jan 25, 2007 11:40 pm
Replies: 1
by gopan » Thu Jan 25, 2007 4:33 pm

1 Replies

10847 Views

Last post by graeme
Thu Jan 25, 2007 11:40 pm
bader analysis for CuTe using VASP

Last post by graeme « Thu Jan 25, 2007 11:27 pm
Replies: 4
by dasilva » Fri Jan 19, 2007 11:35 pm

4 Replies

21813 Views

Last post by graeme
Thu Jan 25, 2007 11:27 pm
what means the MIN DIST in the ACF.dat

Last post by graeme « Tue Dec 12, 2006 4:25 pm
Replies: 8
by Warda » Tue Dec 05, 2006 11:00 am

8 Replies

166291 Views

Last post by graeme
Tue Dec 12, 2006 4:25 pm
Problem about zero bader charge!

Last post by zhantian « Tue Nov 21, 2006 10:17 am
Replies: 2
by zhantian » Tue Nov 21, 2006 2:22 am

2 Replies

15233 Views

Last post by zhantian
Tue Nov 21, 2006 10:17 am
how to cite

Last post by graeme « Wed Nov 01, 2006 4:46 am
Replies: 1
by hunterdai » Tue Oct 31, 2006 8:03 pm

1 Replies

58353 Views

Last post by graeme
Wed Nov 01, 2006 4:46 am
bader charges

Last post by andri « Mon Oct 09, 2006 9:11 pm
Replies: 1
by achar002 » Mon Oct 09, 2006 5:49 pm

1 Replies

62206 Views

Last post by andri
Mon Oct 09, 2006 9:11 pm
Calculation of Bader volumes

Last post by graeme « Thu Oct 05, 2006 2:24 pm
Replies: 11
by khass » Thu Sep 22, 2005 3:14 pm

11 Replies

178057 Views

Last post by graeme
Thu Oct 05, 2006 2:24 pm
Spurious bader charges

Last post by graeme « Thu Sep 28, 2006 5:34 pm
Replies: 13
by mcorralv » Tue Jan 17, 2006 2:03 pm

13 Replies

354249 Views

Last post by graeme
Thu Sep 28, 2006 5:34 pm
bader charges

Last post by graeme « Thu Sep 28, 2006 5:27 pm
Replies: 4
by achar002 » Thu Sep 28, 2006 4:10 am

4 Replies

108716 Views

Last post by graeme
Thu Sep 28, 2006 5:27 pm
bader in cvs

Last post by graeme « Sat Sep 23, 2006 4:35 am
Replies: 1
by achar002 » Fri Sep 22, 2006 10:16 pm

1 Replies

64330 Views

Last post by graeme
Sat Sep 23, 2006 4:35 am
non-orthagonal unit cell

Last post by graeme « Thu Sep 21, 2006 11:35 pm
Replies: 1
by achar002 » Thu Sep 21, 2006 11:09 pm

1 Replies

64811 Views

Last post by graeme
Thu Sep 21, 2006 11:35 pm
the dipole.dat file

Last post by graeme « Fri Sep 15, 2006 9:59 pm
Replies: 1
by lmiao » Fri Sep 15, 2006 9:48 pm

1 Replies

16326 Views

Last post by graeme
Fri Sep 15, 2006 9:59 pm
the differences in Voronoi and Bader partitions

Last post by andri « Tue Sep 12, 2006 12:55 pm
Replies: 1
by dwyuan » Tue Sep 12, 2006 8:01 am

1 Replies

61905 Views

Last post by andri
Tue Sep 12, 2006 12:55 pm
CHGCAR format problem

Last post by graeme « Mon Aug 21, 2006 2:31 pm
Replies: 1
by eetorres » Mon Aug 21, 2006 12:40 pm

1 Replies

15401 Views

Last post by graeme
Mon Aug 21, 2006 2:31 pm
bulk MgO

Last post by khonkala « Wed Aug 16, 2006 1:55 pm
Replies: 2
by khonkala » Fri Aug 11, 2006 7:07 am

2 Replies

17079 Views

Last post by khonkala
Wed Aug 16, 2006 1:55 pm
problem with Bader 0.2 offgrid

Last post by graeme « Thu Aug 10, 2006 1:19 pm
Replies: 1
by magnetism » Wed Aug 09, 2006 6:03 pm

1 Replies

14282 Views

Last post by graeme
Thu Aug 10, 2006 1:19 pm
Bader volume to RWIGS in VASP

Last post by phtobias « Wed Jun 28, 2006 9:13 am

by phtobias » Wed Jun 28, 2006 9:13 am

0 Replies

21616 Views

Last post by phtobias
Wed Jun 28, 2006 9:13 am
Nonorthogonal unit cells

Last post by graeme « Tue May 30, 2006 10:37 pm
Replies: 1
by bhinnema » Tue May 30, 2006 4:08 pm

1 Replies

49797 Views

Last post by graeme
Tue May 30, 2006 10:37 pm
bader value of H

Last post by hunterdai « Mon May 01, 2006 7:40 pm
Replies: 6
by hunterdai » Mon Apr 24, 2006 7:32 pm

6 Replies

130998 Views

Last post by hunterdai
Mon May 01, 2006 7:40 pm
zero BADER value

Last post by hunterdai « Wed Apr 19, 2006 7:40 pm
Replies: 2
by hunterdai » Tue Apr 18, 2006 7:33 pm

2 Replies

75214 Views

Last post by hunterdai
Wed Apr 19, 2006 7:40 pm
non rectangular prism unit cells

Last post by graeme « Wed Mar 29, 2006 8:45 pm
Replies: 3
by jeb » Thu Mar 16, 2006 5:36 pm

3 Replies

68449 Views

Last post by graeme
Wed Mar 29, 2006 8:45 pm
increasing precision of calculation

Last post by andri « Fri Mar 03, 2006 6:57 pm
Replies: 4
by oasd001 » Thu Mar 02, 2006 11:35 pm

4 Replies

79034 Views

Last post by andri
Fri Mar 03, 2006 6:57 pm
Bader charges of zero for H atoms

Last post by andri « Tue Nov 15, 2005 1:32 am
Replies: 1
by enartloc » Mon Nov 14, 2005 10:20 pm

1 Replies

44856 Views

Last post by andri
Tue Nov 15, 2005 1:32 am
pseudo-potential dependent charges

Last post by graeme « Fri Oct 14, 2005 8:21 pm
Replies: 4
by DJC » Thu May 26, 2005 8:05 pm

4 Replies

161871 Views

Last post by graeme
Fri Oct 14, 2005 8:21 pm
bader code gives segmentation fault with option 1,2 and 3

Last post by amit « Mon Sep 19, 2005 2:43 pm
Replies: 12
by amit » Mon Sep 12, 2005 4:23 pm

12 Replies

166064 Views

Last post by amit
Mon Sep 19, 2005 2:43 pm
bader_rho file

Last post by graeme « Fri Aug 26, 2005 7:47 am
Replies: 1
by mcorralv » Thu Aug 25, 2005 8:58 am

1 Replies

16122 Views

Last post by graeme
Fri Aug 26, 2005 7:47 am
Bader source updated

Last post by andri « Thu Aug 04, 2005 5:29 pm

by andri » Thu Aug 04, 2005 5:29 pm

0 Replies

46550 Views

Last post by andri
Thu Aug 04, 2005 5:29 pm
questions about charge distribution

Last post by graeme « Wed Jul 06, 2005 4:56 pm
Replies: 3
by baki » Tue Jul 05, 2005 9:03 am

3 Replies

25650 Views

Last post by graeme
Wed Jul 06, 2005 4:56 pm
Can't Un-tar the Windows Archive

Last post by graeme « Tue Jul 05, 2005 7:46 pm
Replies: 1
by visitor » Mon Jul 04, 2005 2:25 pm

1 Replies

17100 Views

Last post by graeme
Tue Jul 05, 2005 7:46 pm
bader - cube files

Last post by graeme « Sun Jun 05, 2005 6:18 pm
Replies: 3
by egillsk » Tue May 17, 2005 8:52 pm

3 Replies

147738 Views

Last post by graeme
Sun Jun 05, 2005 6:18 pm

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