Using VASP

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All atoms are shifted...

Last post by admin « Thu Jan 24, 2013 3:44 pm
Replies: 3
by danith » Tue Jan 22, 2013 4:52 pm

3 Replies

3331 Views

Last post by admin
Thu Jan 24, 2013 3:44 pm
Q about E-fermi and alpha+bet

Last post by WolverBean « Wed Jan 23, 2013 8:16 pm
Replies: 4
by des » Sun Aug 13, 2006 9:09 pm

4 Replies

13211 Views

Last post by WolverBean
Wed Jan 23, 2013 8:16 pm
potentials for copper

Last post by admin « Wed Jan 23, 2013 4:45 pm
Replies: 1
by priyagoud » Wed Jan 23, 2013 6:35 am

1 Replies

2777 Views

Last post by admin
Wed Jan 23, 2013 4:45 pm
Partial dos

Last post by jyoti « Wed Jan 23, 2013 9:12 am
Replies: 2
by jyoti » Mon Jan 21, 2013 8:08 am

2 Replies

3008 Views

Last post by jyoti
Wed Jan 23, 2013 9:12 am
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

3311 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

3390 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

3246 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

3210 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

5783 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

2525 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

4065 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

5676 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

5479 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

4838 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

3290 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

2938 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

29777 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

3884 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

7265 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

4360 Views

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

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