Using VASP

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how to analyze point group symmetry of a specific KS orbital from WAVECAR?

Last post by maartendft « Thu Jan 17, 2013 8:18 pm
Replies: 2
by bsmile » Tue Jan 15, 2013 7:21 pm

2 Replies

2686 Views

Last post by maartendft
Thu Jan 17, 2013 8:18 pm
how to make the DOS line smooth

Last post by maartendft « Thu Jan 17, 2013 8:15 pm
Replies: 1
by arnt » Thu Jan 10, 2013 8:54 pm

1 Replies

2830 Views

Last post by maartendft
Thu Jan 17, 2013 8:15 pm
POSCAR file for Copper 211 surface

Last post by cappri « Mon Jan 14, 2013 6:18 pm
Replies: 1
by cappri » Mon Jan 14, 2013 5:23 pm

1 Replies

2781 Views

Last post by cappri
Mon Jan 14, 2013 6:18 pm
GADGET optimization in internal coordinates in vasp 5?

Last post by cpp6f « Fri Jan 11, 2013 7:33 pm
Replies: 2
by cpp6f » Thu Jan 10, 2013 5:35 am

2 Replies

2629 Views

Last post by cpp6f
Fri Jan 11, 2013 7:33 pm
What is AECCAR2?

Last post by yargk « Fri Jan 11, 2013 8:00 am
Replies: 2
by yargk » Thu Jan 03, 2013 8:05 pm

2 Replies

4855 Views

Last post by yargk
Fri Jan 11, 2013 8:00 am
Adatom on/in my surface...

Last post by blazing « Tue Jan 08, 2013 5:05 pm
Replies: 1
by danith » Sun Jan 06, 2013 2:47 pm

1 Replies

2070 Views

Last post by blazing
Tue Jan 08, 2013 5:05 pm
Relaxation of 2D materials!

Last post by danith « Mon Jan 07, 2013 12:10 pm
Replies: 2
by hosfa » Fri Dec 21, 2012 12:36 pm

2 Replies

3272 Views

Last post by danith
Mon Jan 07, 2013 12:10 pm
PHONON AND NSW

Last post by alex « Wed Jan 02, 2013 3:49 pm
Replies: 5
by giacomo giorgi » Thu Dec 20, 2012 9:53 am

5 Replies

4046 Views

Last post by alex
Wed Jan 02, 2013 3:49 pm
VASP POTCARs

Last post by M Dave « Fri Dec 28, 2012 8:19 am
Replies: 6
by cappri » Tue Dec 18, 2012 1:06 pm

6 Replies

4371 Views

Last post by M Dave
Fri Dec 28, 2012 8:19 am
GW-BSE calculation

Last post by naresh124 « Wed Dec 26, 2012 11:05 am
Replies: 3
by cryyorone » Thu Mar 08, 2012 9:02 am

3 Replies

4160 Views

Last post by naresh124
Wed Dec 26, 2012 11:05 am
PBE POTCAR for Y (yttrium)

Last post by tholme « Mon Dec 24, 2012 6:23 pm
Replies: 2
by tholme » Fri Nov 23, 2012 11:59 am

2 Replies

2621 Views

Last post by tholme
Mon Dec 24, 2012 6:23 pm
How to visualize the band decomposed density for beta channels

Last post by olson139 « Thu Dec 20, 2012 2:23 am
Replies: 2
by olson139 » Tue Dec 04, 2012 1:57 am

2 Replies

2342 Views

Last post by olson139
Thu Dec 20, 2012 2:23 am
Constant-pressure molecular dynamics in VASP.5.3.2

Last post by maartendft « Wed Dec 19, 2012 8:39 pm
Replies: 22
by pblanko » Thu Sep 20, 2012 5:02 am
1

2
22 Replies

22818 Views

Last post by maartendft
Wed Dec 19, 2012 8:39 pm
Bandstructure calculation

Last post by mperezjigato « Wed Dec 19, 2012 10:59 am
Replies: 1
by bhinnema » Mon Dec 05, 2005 4:40 pm

1 Replies

3319 Views

Last post by mperezjigato
Wed Dec 19, 2012 10:59 am
MD (Nose Thermostat) decaying constant of motion and another error regarding timestep

Last post by rabi « Wed Dec 19, 2012 7:22 am
Replies: 4
by dodo » Fri May 11, 2012 5:36 pm

4 Replies

6243 Views

Last post by rabi
Wed Dec 19, 2012 7:22 am
Surface Defects and Relative Energies....

Last post by alex « Mon Dec 17, 2012 4:31 pm
Replies: 5
by danith » Mon Dec 17, 2012 9:36 am

5 Replies

3386 Views

Last post by alex
Mon Dec 17, 2012 4:31 pm
ELFCAR and PARCHG

Last post by jovisstar « Thu Dec 13, 2012 6:37 am
Replies: 3
by kmkumar » Wed Sep 21, 2011 1:43 pm

3 Replies

4155 Views

Last post by jovisstar
Thu Dec 13, 2012 6:37 am
how to design a suppercell which contain a dislocation

Last post by magal « Wed Dec 12, 2012 4:13 pm
Replies: 6
by dyc_2008 » Tue Mar 29, 2011 1:37 pm

6 Replies

4255 Views

Last post by magal
Wed Dec 12, 2012 4:13 pm
Still Bandstructure of Si in GW

Last post by juhL « Tue Dec 11, 2012 3:38 pm
Replies: 3
by liu » Fri Dec 07, 2012 10:19 am

3 Replies

2738 Views

Last post by juhL
Tue Dec 11, 2012 3:38 pm
Direction of external electric field

Last post by hadoan « Tue Dec 04, 2012 11:44 pm
Replies: 2
by hadoan » Tue Dec 04, 2012 2:07 am

2 Replies

3393 Views

Last post by hadoan
Tue Dec 04, 2012 11:44 pm

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