Bader

Moderator: moderators

New Topic

402 topics

Page 8 of 9
- Jump to page:
Previous
1
…
5
6
7
8
9
Next

Topics

Replies

Views

Last post

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

7508 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

13003 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

11697 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

124235 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

80894 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

39966 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

8858 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

8056 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

49449 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

8173 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

103032 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

9278 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

49910 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

9126 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

126198 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

74965 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

63218 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

63753 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

40160 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

89262 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

9782 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

20153 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

112879 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

13866 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

41236 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

42504 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

134935 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

225374 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

72738 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

43189 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

43403 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

14800 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

42863 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

13580 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

14909 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

12253 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

18552 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

38014 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

91274 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

53037 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

51189 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

58952 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

34175 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

104130 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

123408 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

13591 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

34387 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

20246 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

13500 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

93053 Views

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

New Topic

402 topics

Page 8 of 9
- Jump to page:
Previous
1
…
5
6
7
8
9
Next

Return to Board Index

Forum permissions

You cannot post new topics in this forum
You cannot reply to topics in this forum
You cannot edit your posts in this forum
You cannot delete your posts in this forum
You cannot post attachments in this forum