Using VASP

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Electronic loop failed to converge

Last post by tfb « Wed Oct 17, 2007 12:54 am
Replies: 2
by Tian » Mon Oct 15, 2007 1:54 am

2 Replies

2016 Views

Last post by tfb
Wed Oct 17, 2007 12:54 am
workshop

Last post by admin « Mon Oct 15, 2007 9:34 am
Replies: 1
by rudra-b » Sat Oct 13, 2007 1:53 pm

1 Replies

1759 Views

Last post by admin
Mon Oct 15, 2007 9:34 am
about velocity in molecular dynamics

Last post by tfb « Thu Oct 11, 2007 10:12 am
Replies: 4
by tfb » Tue Oct 09, 2007 2:15 am

4 Replies

4342 Views

Last post by tfb
Thu Oct 11, 2007 10:12 am
Fe3O4 valence charges

Last post by admin « Wed Oct 10, 2007 7:35 am
Replies: 1
by ahromero » Mon Oct 08, 2007 3:07 pm

1 Replies

2514 Views

Last post by admin
Wed Oct 10, 2007 7:35 am
Band Crossing

Last post by admin « Wed Oct 10, 2007 7:28 am
Replies: 1
by otalvaro » Wed Oct 10, 2007 1:45 am

1 Replies

2579 Views

Last post by admin
Wed Oct 10, 2007 7:28 am
Is the enthalpy term included in VASP total energy?

Last post by oja « Wed Oct 10, 2007 7:28 am
Replies: 2
by oja » Mon Oct 08, 2007 1:43 pm

2 Replies

5372 Views

Last post by oja
Wed Oct 10, 2007 7:28 am
Electronic Loops of Band structure calculation

Last post by admin « Tue Oct 09, 2007 8:13 am
Replies: 1
by zhichengzhong » Mon Oct 08, 2007 2:21 pm

1 Replies

1947 Views

Last post by admin
Tue Oct 09, 2007 8:13 am
When can I buy a new version of VASP (vasp 5) ?

Last post by admin « Tue Oct 09, 2007 7:43 am
Replies: 1
by chorawut » Tue Oct 09, 2007 3:07 am

1 Replies

2928 Views

Last post by admin
Tue Oct 09, 2007 7:43 am
Comparing band structures

Last post by user « Tue Oct 09, 2007 5:34 am
Replies: 2
by user » Sat Oct 06, 2007 11:07 pm

2 Replies

2479 Views

Last post by user
Tue Oct 09, 2007 5:34 am
Accurate total forces in SiO2

Last post by admin « Mon Oct 08, 2007 7:46 am
Replies: 1
by bdhehr » Thu Oct 04, 2007 5:02 pm

1 Replies

2546 Views

Last post by admin
Mon Oct 08, 2007 7:46 am
Frozen phonon calculation ?

Last post by admin « Mon Oct 08, 2007 7:39 am
Replies: 1
by nus11 » Thu Oct 04, 2007 6:21 pm

1 Replies

4117 Views

Last post by admin
Mon Oct 08, 2007 7:39 am
Information on the plane waves

Last post by admin « Mon Oct 08, 2007 7:35 am
Replies: 2
by janbor » Fri Oct 05, 2007 9:11 am

2 Replies

2207 Views

Last post by admin
Mon Oct 08, 2007 7:35 am
Is this Antiferro- or Ferrim-magnetic soloution-Again

Last post by admin « Mon Oct 08, 2007 7:31 am
Replies: 1
by vaspman » Sat Oct 06, 2007 7:12 am

1 Replies

2595 Views

Last post by admin
Mon Oct 08, 2007 7:31 am
different potential files

Last post by admin « Mon Oct 08, 2007 7:23 am
Replies: 3
by zlch5 » Wed Oct 03, 2007 9:44 pm

3 Replies

2546 Views

Last post by admin
Mon Oct 08, 2007 7:23 am
TDDFT

Last post by admin « Fri Oct 05, 2007 2:27 pm
Replies: 1
by Tanya » Fri Oct 05, 2007 11:52 am

1 Replies

3125 Views

Last post by admin
Fri Oct 05, 2007 2:27 pm
Bader charge

Last post by graeme « Thu Oct 04, 2007 4:02 am
Replies: 1
by raghunath » Wed Oct 03, 2007 8:34 am

1 Replies

8793 Views

Last post by graeme
Thu Oct 04, 2007 4:02 am
PDOS summation

Last post by admin « Wed Oct 03, 2007 7:03 am
Replies: 1
by Eugene » Tue Oct 02, 2007 6:43 pm

1 Replies

2448 Views

Last post by admin
Wed Oct 03, 2007 7:03 am
SCF

Last post by admin « Mon Oct 01, 2007 10:10 am
Replies: 1
by rudra-b » Fri Sep 28, 2007 2:59 pm

1 Replies

1887 Views

Last post by admin
Mon Oct 01, 2007 10:10 am
error

Last post by admin « Mon Oct 01, 2007 10:08 am
Replies: 1
by rudra-b » Sun Sep 30, 2007 5:45 pm

1 Replies

3396 Views

Last post by admin
Mon Oct 01, 2007 10:08 am
Optical properties

Last post by lsam « Fri Sep 28, 2007 9:16 am
Replies: 3
by lsam » Thu Sep 27, 2007 3:48 pm

3 Replies

3073 Views

Last post by lsam
Fri Sep 28, 2007 9:16 am

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