Using VASP

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weird ordering of band-energies

Last post by admin « Wed Jan 30, 2013 4:09 pm
Replies: 1
by magnon963 » Wed Jan 23, 2013 3:08 pm

1 Replies

4119 Views

Last post by admin
Wed Jan 30, 2013 4:09 pm
AECCAR0 content?

Last post by admin « Wed Jan 30, 2013 11:15 am
Replies: 1
by yargk » Tue Jan 29, 2013 7:24 am

1 Replies

2365 Views

Last post by admin
Wed Jan 30, 2013 11:15 am
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

4701 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

3087 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

16714 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

2974 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

3280 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

13132 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

2715 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

2964 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

3248 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

3334 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

3207 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

3160 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

5627 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

2471 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

4002 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

5595 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

5382 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

4778 Views

Last post by naresh124
Wed Dec 26, 2012 11:05 am

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