Ground state

Moderator: bguster

Locked

1353 topics

Page 44 of 55
- Jump to page:
Previous
1
…
42
43
44
45
46
…
55
Next

Announcements

Replies

Views

Last post

Marking answers for solved issues

Last post by pouillon « Fri Aug 09, 2013 12:56 pm
Posted in Configuring and compiling ABINIT

by pouillon » Fri Aug 09, 2013 12:56 pm » in Configuring and compiling ABINIT
This topic was posted 4061 days ago

0 Replies

126875 Views

Last post by pouillon
Fri Aug 09, 2013 12:56 pm

Topics

Replies

Views

Last post

energy barrier of chemical reaction

Last post by zjuer « Mon May 23, 2011 10:04 pm

by zjuer » Mon May 23, 2011 10:04 pm
This topic was posted 4869 days ago

0 Replies

2083 Views

Last post by zjuer
Mon May 23, 2011 10:04 pm
Multiplicity in Primitive cell?

Last post by robsimps « Mon May 23, 2011 10:51 am
Replies: 2
by robsimps » Thu Apr 14, 2011 2:46 pm
This topic was posted 4909 days ago

2 Replies

3515 Views

Last post by robsimps
Mon May 23, 2011 10:51 am
Convergence with different tolmxf

Last post by roginovicci « Thu May 19, 2011 1:25 pm
Replies: 4
by roginovicci » Wed May 18, 2011 9:52 am
This topic was posted 4875 days ago

4 Replies

5746 Views

Last post by roginovicci
Thu May 19, 2011 1:25 pm
charge of atom?

Last post by jzwanzig « Wed May 18, 2011 5:43 pm
Replies: 1
by mina » Sat May 14, 2011 12:14 pm
This topic was posted 4879 days ago

1 Replies

1986 Views

Last post by jzwanzig
Wed May 18, 2011 5:43 pm
Avoiding "same point in unit cell" error in supercells

Last post by david.waroquiers « Wed May 18, 2011 2:45 pm
Replies: 3
by dr_sferrari » Mon Feb 21, 2011 2:13 pm
This topic was posted 4961 days ago

3 Replies

3468 Views

Last post by david.waroquiers
Wed May 18, 2011 2:45 pm
vibrational properties and GGA functionals

Last post by hicpalm « Tue May 17, 2011 6:38 pm
Replies: 4
by hicpalm » Sat May 14, 2011 3:38 pm
This topic was posted 4879 days ago

4 Replies

3670 Views

Last post by hicpalm
Tue May 17, 2011 6:38 pm
General Question About Ab-initio MD

Last post by f4ding « Mon May 16, 2011 2:34 am

by f4ding » Mon May 16, 2011 2:34 am
This topic was posted 4877 days ago

0 Replies

1893 Views

Last post by f4ding
Mon May 16, 2011 2:34 am
Compute energy of ion Fe2+

Last post by david.waroquiers « Thu May 12, 2011 10:23 am
Replies: 1
by manhquank9 » Thu May 12, 2011 1:29 am
This topic was posted 4881 days ago

1 Replies

2313 Views

Last post by david.waroquiers
Thu May 12, 2011 10:23 am
maximum no atom

Last post by david.waroquiers « Wed May 11, 2011 10:17 am
Replies: 1
by Amal Giri » Wed May 11, 2011 6:17 am
This topic was posted 4882 days ago

1 Replies

1711 Views

Last post by david.waroquiers
Wed May 11, 2011 10:17 am
how to use orbital-free molecular dynamics simulation?

Last post by lefthreven « Wed May 11, 2011 8:38 am

by lefthreven » Wed May 11, 2011 8:38 am
This topic was posted 4882 days ago

0 Replies

2040 Views

Last post by lefthreven
Wed May 11, 2011 8:38 am
magnetization of ilmenite?

Last post by mina « Mon May 09, 2011 1:02 pm
Replies: 9
by mina » Fri Apr 15, 2011 9:23 pm
This topic was posted 4907 days ago

9 Replies

5049 Views

Last post by mina
Mon May 09, 2011 1:02 pm
Input file for ecut test of ZnO??? please help me!

Last post by hjli « Sun May 08, 2011 1:29 am
Replies: 6
by hjli » Fri May 06, 2011 5:31 am
This topic was posted 4887 days ago

6 Replies

4699 Views

Last post by hjli
Sun May 08, 2011 1:29 am
hwo to continue a job in one dataset ?

Last post by jzwanzig « Sat May 07, 2011 12:38 pm
Replies: 3
by mazuju » Fri May 06, 2011 5:36 am
This topic was posted 4887 days ago

3 Replies

3135 Views

Last post by jzwanzig
Sat May 07, 2011 12:38 pm
nband in input file and pspatm in log file

Last post by kello « Fri May 06, 2011 6:12 pm

by kello » Fri May 06, 2011 6:12 pm
This topic was posted 4886 days ago

0 Replies

1963 Views

Last post by kello
Fri May 06, 2011 6:12 pm
Rhombohedral hexagonal axes no cell parameters

Last post by Mutta « Fri May 06, 2011 6:12 am
Replies: 4
by Mutta » Wed May 04, 2011 7:59 am
This topic was posted 4889 days ago

4 Replies

3857 Views

Last post by Mutta
Fri May 06, 2011 6:12 am
Positron enhacement includes correction for semiconductors?

Last post by dr_sferrari « Thu May 05, 2011 5:15 pm

by dr_sferrari » Thu May 05, 2011 5:15 pm
This topic was posted 4887 days ago

0 Replies

1985 Views

Last post by dr_sferrari
Thu May 05, 2011 5:15 pm
polarization BUG?

Last post by jzwanzig « Thu May 05, 2011 2:29 pm
Replies: 1
by mina » Wed May 04, 2011 9:39 pm
This topic was posted 4888 days ago

1 Replies

1689 Views

Last post by jzwanzig
Thu May 05, 2011 2:29 pm
Question about the path of KSS file

Last post by xiangpisai « Tue May 03, 2011 9:51 pm
Replies: 2
by xiangpisai » Mon Apr 25, 2011 5:11 pm
This topic was posted 4897 days ago

2 Replies

1999 Views

Last post by xiangpisai
Tue May 03, 2011 9:51 pm
the problem of optimization of the lattice parameter ??

Last post by Boris « Tue May 03, 2011 7:07 pm
Replies: 3
by hjli » Sun May 01, 2011 3:48 pm
This topic was posted 4892 days ago

3 Replies

4238 Views

Last post by Boris
Tue May 03, 2011 7:07 pm
error while running "abinit < t1x.files >& log"

Last post by jzwanzig « Sat Apr 30, 2011 6:47 pm
Replies: 1
by Mukul.pu02 » Fri Apr 29, 2011 12:06 pm
This topic was posted 4894 days ago

1 Replies

2280 Views

Last post by jzwanzig
Sat Apr 30, 2011 6:47 pm
about local PBE0

Last post by hicpalm « Fri Apr 22, 2011 7:41 pm
Replies: 10
by hicpalm » Sun Mar 27, 2011 1:43 pm
This topic was posted 4927 days ago

10 Replies

8427 Views

Last post by hicpalm
Fri Apr 22, 2011 7:41 pm
band gap of silicon nanowire

Last post by sana « Wed Apr 20, 2011 7:23 pm
Replies: 2
by sana » Wed Apr 20, 2011 7:17 pm
This topic was posted 4902 days ago

2 Replies

2544 Views

Last post by sana
Wed Apr 20, 2011 7:23 pm
The problem for testing the example t12.in .

Last post by ldamewood « Wed Apr 20, 2011 6:54 pm
Replies: 2
by wenj674 » Sun Mar 27, 2011 12:06 pm
This topic was posted 4927 days ago

2 Replies

2457 Views

Last post by ldamewood
Wed Apr 20, 2011 6:54 pm
Initial ecut value

Last post by Alain_Jacques « Wed Apr 20, 2011 11:56 am
Replies: 3
by Amal Giri » Tue Apr 19, 2011 1:30 pm
This topic was posted 4904 days ago

3 Replies

2972 Views

Last post by Alain_Jacques
Wed Apr 20, 2011 11:56 am
crash during optimization

Last post by hicpalm « Fri Apr 15, 2011 10:49 pm
Replies: 3
by hicpalm » Thu Apr 14, 2011 10:52 pm
This topic was posted 4908 days ago

3 Replies

3488 Views

Last post by hicpalm
Fri Apr 15, 2011 10:49 pm

Locked

1353 topics

Page 44 of 55
- Jump to page:
Previous
1
…
42
43
44
45
46
…
55
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