Using VASP

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Formation Energy

Last post by admin « Thu Feb 07, 2013 12:38 pm
Replies: 1
by sunny » Tue Feb 05, 2013 3:39 pm

1 Replies

2552 Views

Last post by admin
Thu Feb 07, 2013 12:38 pm
Band structure calcualtions

Last post by admin « Tue Feb 05, 2013 4:49 pm
Replies: 1
by sunny » Tue Feb 05, 2013 3:36 pm

1 Replies

1908 Views

Last post by admin
Tue Feb 05, 2013 4:49 pm
How to perform GW calculation in vasp5.2?

Last post by mika « Tue Feb 05, 2013 10:13 am
Replies: 1
by xfh00 » Wed Sep 16, 2009 6:53 am

1 Replies

2431 Views

Last post by mika
Tue Feb 05, 2013 10:13 am
converging M06L calculations

Last post by WolverBean « Sat Feb 02, 2013 3:20 am
Replies: 3
by WolverBean » Thu Nov 08, 2012 7:58 pm

3 Replies

6042 Views

Last post by WolverBean
Sat Feb 02, 2013 3:20 am
Time Dependent DFT (TDDFT)

Last post by fme3535 « Wed Jan 30, 2013 10:47 pm
Replies: 1
by cmuhich » Mon Jan 07, 2013 6:49 pm

1 Replies

4379 Views

Last post by fme3535
Wed Jan 30, 2013 10:47 pm
Why my adatom is precipited inside my surface?

Last post by admin « Wed Jan 30, 2013 4:30 pm
Replies: 1
by danith » Mon Jan 07, 2013 11:11 am

1 Replies

2150 Views

Last post by admin
Wed Jan 30, 2013 4:30 pm
Charge density in z-direction

Last post by admin « Wed Jan 30, 2013 4:22 pm
Replies: 1
by Sandra787 » Fri Jan 11, 2013 11:45 am

1 Replies

2465 Views

Last post by admin
Wed Jan 30, 2013 4:22 pm
Potassium atom ground state energy

Last post by admin « Wed Jan 30, 2013 4:12 pm
Replies: 1
by asaivenk » Tue Jan 22, 2013 6:52 am

1 Replies

2432 Views

Last post by admin
Wed Jan 30, 2013 4:12 pm
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

3761 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

2111 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

4303 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

2826 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

15911 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

2642 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

2904 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

12155 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

2419 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

2641 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

2885 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

3006 Views

Last post by maartendft
Thu Jan 17, 2013 8:15 pm

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