Using VASP

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Cell volume

Last post by home79 « Thu Feb 19, 2009 3:27 am
Replies: 5
by rghomari » Fri Jul 18, 2008 4:44 am

5 Replies

10686 Views

Last post by home79
Thu Feb 19, 2009 3:27 am
How to start NEB job on quad-core processor

Last post by Jiaye Li « Thu Feb 19, 2009 2:14 am
Replies: 4
by Jiaye Li » Mon Feb 16, 2009 3:40 am

4 Replies

6293 Views

Last post by Jiaye Li
Thu Feb 19, 2009 2:14 am
core level shift calculation

Last post by admin « Wed Feb 18, 2009 1:27 pm
Replies: 3
by yuxiao_zihan » Mon Feb 16, 2009 12:25 pm

3 Replies

5830 Views

Last post by admin
Wed Feb 18, 2009 1:27 pm
Band structure for adsorbates on a slab

Last post by yuxiao_zihan « Wed Feb 18, 2009 12:16 pm
Replies: 3
by pop6orn » Mon Aug 11, 2008 3:49 am

3 Replies

5540 Views

Last post by yuxiao_zihan
Wed Feb 18, 2009 12:16 pm
Ferromagnetic and Antiferromagnetic calculations

Last post by forsdan « Wed Feb 18, 2009 6:30 am
Replies: 1
by goja25 » Tue Feb 17, 2009 3:19 pm

1 Replies

7137 Views

Last post by forsdan
Wed Feb 18, 2009 6:30 am
values in LOCPOT file

Last post by yuxiao_zihan « Tue Feb 17, 2009 2:38 pm
Replies: 3
by rgc » Mon Feb 16, 2009 3:26 pm

3 Replies

7502 Views

Last post by yuxiao_zihan
Tue Feb 17, 2009 2:38 pm
About data in PARCHG file

Last post by admin « Tue Feb 17, 2009 12:24 pm
Replies: 1
by opvu » Tue Feb 17, 2009 6:54 am

1 Replies

4756 Views

Last post by admin
Tue Feb 17, 2009 12:24 pm
Electron configuration in PBE POTCAR

Last post by admin « Tue Feb 17, 2009 11:00 am
Replies: 1
by hatdau » Wed Feb 11, 2009 2:52 pm

1 Replies

4422 Views

Last post by admin
Tue Feb 17, 2009 11:00 am
optical property calculation

Last post by adebayo « Tue Feb 17, 2009 9:50 am
Replies: 3
by asaaravindh » Mon Dec 10, 2007 8:40 am

3 Replies

6138 Views

Last post by adebayo
Tue Feb 17, 2009 9:50 am
GGA+Uf+Ud

Last post by linglin « Mon Feb 16, 2009 1:41 am
Replies: 1
by craigwang » Sun Feb 15, 2009 10:53 pm

1 Replies

3500 Views

Last post by linglin
Mon Feb 16, 2009 1:41 am
Relation between partial DOS and total DOS

Last post by job « Sat Feb 14, 2009 8:14 am
Replies: 1
by icymist » Thu Feb 12, 2009 4:15 pm

1 Replies

4573 Views

Last post by job
Sat Feb 14, 2009 8:14 am
return code 29

Last post by admin « Tue Feb 10, 2009 4:20 pm
Replies: 1
by LSK » Tue Feb 03, 2009 5:25 am

1 Replies

5020 Views

Last post by admin
Tue Feb 10, 2009 4:20 pm
Floppy systems - use of internal degrees of freedom

Last post by admin « Mon Feb 09, 2009 2:05 pm
Replies: 4
by physicalattraction » Wed Jan 28, 2009 12:40 pm

4 Replies

5634 Views

Last post by admin
Mon Feb 09, 2009 2:05 pm
pressure of cell

Last post by admin « Mon Feb 02, 2009 3:09 pm
Replies: 1
by rghomari » Mon Jan 12, 2009 9:58 pm

1 Replies

4197 Views

Last post by admin
Mon Feb 02, 2009 3:09 pm
how to interpret spin-orbit calculation results

Last post by admin « Mon Feb 02, 2009 2:45 pm
Replies: 1
by SangLee » Fri Jan 30, 2009 6:07 am

1 Replies

4327 Views

Last post by admin
Mon Feb 02, 2009 2:45 pm
LORBMOM and band structure calculations

Last post by magal « Fri Jan 30, 2009 9:57 am
Replies: 2
by magal » Tue Jan 27, 2009 1:43 pm

2 Replies

5258 Views

Last post by magal
Fri Jan 30, 2009 9:57 am
FERWE and FERDO syntax

Last post by admin « Wed Jan 28, 2009 4:41 pm
Replies: 1
by anurag » Sun Jan 25, 2009 12:23 am

1 Replies

5047 Views

Last post by admin
Wed Jan 28, 2009 4:41 pm
PDOS implementation

Last post by Oscar_rp « Mon Jan 26, 2009 10:54 am
Replies: 2
by Oscar_rp » Mon Jan 19, 2009 9:13 am

2 Replies

7645 Views

Last post by Oscar_rp
Mon Jan 26, 2009 10:54 am
PROCAR format for spin-orbit coupling calcultion

Last post by admin « Fri Jan 23, 2009 4:05 pm
Replies: 1
by zhzeng » Tue Jan 13, 2009 10:37 am

1 Replies

8019 Views

Last post by admin
Fri Jan 23, 2009 4:05 pm
non-magnetic ground state?

Last post by duncan2 « Fri Jan 23, 2009 2:39 pm
Replies: 2
by duncan2 » Fri Jan 23, 2009 4:21 am

2 Replies

5782 Views

Last post by duncan2
Fri Jan 23, 2009 2:39 pm

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