Using VASP

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setting orbital occupancy matrix

Last post by kamalch « Wed Jan 30, 2013 3:26 am
Replies: 2
by ajsmth » Thu May 03, 2012 4:21 pm

2 Replies

2720 Views

Last post by kamalch
Wed Jan 30, 2013 3:26 am
PROCAR - d orbitals

Last post by admin « Mon Jan 28, 2013 3:33 pm
Replies: 1
by zrfssh » Sat Jan 26, 2013 6:55 pm

1 Replies

1594 Views

Last post by admin
Mon Jan 28, 2013 3:33 pm
External Electric Field in VASP

Last post by zhangjinmt « Fri Jan 25, 2013 11:58 am
Replies: 6
by Eugene » Tue Apr 12, 2005 1:48 am

6 Replies

12677 Views

Last post by zhangjinmt
Fri Jan 25, 2013 11:58 am
Question about EFIELD in VASP

Last post by zhangjinmt « Fri Jan 25, 2013 11:57 am
Replies: 2
by zhangjinmt » Fri Jan 25, 2013 8:32 am

2 Replies

1317 Views

Last post by zhangjinmt
Fri Jan 25, 2013 11:57 am
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

1394 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

9307 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

1234 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

1226 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

1389 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

1940 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

1734 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

1569 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

3423 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

1221 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

2092 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

2241 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

2453 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

2661 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

1516 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

1182 Views

Last post by olson139
Thu Dec 20, 2012 2:23 am

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