Using VASP

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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

4760 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

3538 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

3767 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

4590 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

4323 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

6640 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

7358 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

4943 Views

Last post by duncan2
Fri Jan 23, 2009 2:39 pm
how fixe the temperature and pressure

Last post by admin « Fri Jan 23, 2009 1:33 pm
Replies: 1
by rghomari » Fri Jan 16, 2009 9:23 pm

1 Replies

3565 Views

Last post by admin
Fri Jan 23, 2009 1:33 pm
GW calculation in VASP

Last post by admin « Fri Jan 23, 2009 12:56 pm
Replies: 1
by ds4nzs » Fri Jan 23, 2009 12:43 am

1 Replies

4725 Views

Last post by admin
Fri Jan 23, 2009 12:56 pm
Non-collinear DOS

Last post by admin « Wed Jan 21, 2009 3:48 pm
Replies: 2
by duncan2 » Mon Dec 08, 2008 7:06 am

2 Replies

4234 Views

Last post by admin
Wed Jan 21, 2009 3:48 pm
about NBANDS problem

Last post by Danny « Sun Jan 18, 2009 5:33 pm
Replies: 1
by chengjun » Sat Jan 17, 2009 3:29 pm

1 Replies

4280 Views

Last post by Danny
Sun Jan 18, 2009 5:33 pm
How to plot energy spectrum of valence electrons ?

Last post by forsdan « Mon Jan 12, 2009 9:19 am
Replies: 1
by prithwish » Mon Jan 12, 2009 5:33 am

1 Replies

3424 Views

Last post by forsdan
Mon Jan 12, 2009 9:19 am
geometry file

Last post by physicalattraction « Mon Jan 12, 2009 7:54 am
Replies: 1
by nandreu7 » Sun Jan 11, 2009 2:43 pm

1 Replies

3097 Views

Last post by physicalattraction
Mon Jan 12, 2009 7:54 am
How to calculate internal energy of an irregular structure

Last post by fanghz « Mon Jan 12, 2009 1:54 am
Replies: 4
by fanghz » Thu Oct 16, 2008 9:41 am

4 Replies

5233 Views

Last post by fanghz
Mon Jan 12, 2009 1:54 am
pressure unity

Last post by forsdan « Sat Jan 10, 2009 10:38 am
Replies: 1
by rghomari » Sat Jan 10, 2009 12:06 am

1 Replies

3807 Views

Last post by forsdan
Sat Jan 10, 2009 10:38 am
inertia and dipolaire moment of molecule

Last post by admin « Thu Jan 08, 2009 3:29 pm
Replies: 1
by rghomari » Tue Jan 06, 2009 10:19 pm

1 Replies

2855 Views

Last post by admin
Thu Jan 08, 2009 3:29 pm
Infrared intensities for 3D periodic systems

Last post by admin « Thu Jan 08, 2009 3:19 pm
Replies: 1
by alex » Mon Jan 05, 2009 2:10 pm

1 Replies

3777 Views

Last post by admin
Thu Jan 08, 2009 3:19 pm
Spin-orbit coupling

Last post by admin « Thu Jan 08, 2009 2:51 pm
Replies: 1
by chlee » Tue Dec 30, 2008 10:48 pm

1 Replies

3286 Views

Last post by admin
Thu Jan 08, 2009 2:51 pm
band decomposed charge density

Last post by admin « Thu Jan 08, 2009 2:36 pm
Replies: 2
by Kitaura » Sat Dec 27, 2008 4:02 pm

2 Replies

5366 Views

Last post by admin
Thu Jan 08, 2009 2:36 pm

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