Using VASP

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Eigenvalue shifting - alpha+bet term

Last post by asija « Wed Jul 14, 2010 11:16 am
Replies: 5
by cdt9f » Fri Aug 26, 2005 7:18 pm

5 Replies

4830 Views

Last post by asija
Wed Jul 14, 2010 11:16 am
questions on LDA+U, LSDA, LSDA+U methods

Last post by apple « Tue Jul 13, 2010 6:33 pm
Replies: 1
by luke419 » Tue Jul 13, 2010 3:58 pm

1 Replies

2637 Views

Last post by apple
Tue Jul 13, 2010 6:33 pm
can LOCPOT be used to derive electric field?

Last post by tlchan « Tue Jul 13, 2010 2:54 pm
Replies: 2
by tholme » Fri Jul 09, 2010 8:36 pm

2 Replies

2347 Views

Last post by tlchan
Tue Jul 13, 2010 2:54 pm
Monoclinic Crystal Structure

Last post by apple « Sun Jul 11, 2010 4:54 pm
Replies: 2
by apple » Thu Jul 08, 2010 2:55 pm

2 Replies

2339 Views

Last post by apple
Sun Jul 11, 2010 4:54 pm
How to choose pseudopotential for GGA calculation?

Last post by forsdan « Fri Jul 09, 2010 6:41 pm
Replies: 3
by fzcsydl » Fri Jul 02, 2010 7:27 pm

3 Replies

6289 Views

Last post by forsdan
Fri Jul 09, 2010 6:41 pm
Can we change the percentage of Fock exchange in HSE03/06

Last post by superyoyo « Fri Jul 09, 2010 2:25 am
Replies: 1
by superyoyo » Wed Jun 23, 2010 3:51 pm

1 Replies

1307 Views

Last post by superyoyo
Fri Jul 09, 2010 2:25 am
A few questions regarding units and such

Last post by panda « Thu Jul 08, 2010 2:49 am
Replies: 2
by panda » Tue Jul 06, 2010 8:10 pm

2 Replies

2616 Views

Last post by panda
Thu Jul 08, 2010 2:49 am
LEPSILON tag

Last post by Amritendu « Mon Jul 05, 2010 4:34 am
Replies: 2
by Amritendu » Thu Jun 17, 2010 11:33 am

2 Replies

2529 Views

Last post by Amritendu
Mon Jul 05, 2010 4:34 am
hybridization

Last post by mukul « Sun Jul 04, 2010 2:58 am
Replies: 2
by sonandok » Tue Apr 13, 2010 6:53 am

2 Replies

1755 Views

Last post by mukul
Sun Jul 04, 2010 2:58 am
metal oxide supported metal clusters

Last post by Sonny « Thu Jul 01, 2010 10:09 pm
Replies: 2
by Sonny » Wed Jun 30, 2010 2:41 am

2 Replies

1591 Views

Last post by Sonny
Thu Jul 01, 2010 10:09 pm
How to accelerate SOC + HSE06 calculation?

Last post by admin « Thu Jul 01, 2010 9:02 am
Replies: 1
by jzzhao » Fri Jun 04, 2010 7:47 am

1 Replies

4553 Views

Last post by admin
Thu Jul 01, 2010 9:02 am
How do I reduce the symmetry along C axis ?

Last post by admin « Thu Jul 01, 2010 8:52 am
Replies: 3
by SangLee » Mon Mar 22, 2010 5:51 am

3 Replies

1847 Views

Last post by admin
Thu Jul 01, 2010 8:52 am
Number of electrons as a function of RWIGS radius

Last post by admin « Thu Jul 01, 2010 8:22 am
Replies: 1
by ledssiul » Fri May 28, 2010 8:14 am

1 Replies

1695 Views

Last post by admin
Thu Jul 01, 2010 8:22 am
Strange orbital ordering by HSE06

Last post by admin « Thu Jul 01, 2010 8:10 am
Replies: 1
by spakinfo » Thu Jun 10, 2010 7:07 am

1 Replies

1524 Views

Last post by admin
Thu Jul 01, 2010 8:10 am
Convergence problem for slab geometry

Last post by admin « Thu Jul 01, 2010 8:06 am
Replies: 6
by hpaudel » Mon May 24, 2010 2:37 pm

6 Replies

8174 Views

Last post by admin
Thu Jul 01, 2010 8:06 am
about the occupancy in no. of bands in OUTCAR file

Last post by forsdan « Wed Jun 30, 2010 3:53 pm
Replies: 1
by Isha » Wed Jun 30, 2010 10:03 am

1 Replies

2099 Views

Last post by forsdan
Wed Jun 30, 2010 3:53 pm
Phonon modes with DFPT (IBRION = 8)

Last post by ferdows « Thu Jun 24, 2010 10:42 pm
Replies: 2
by ferdows » Wed Jun 23, 2010 10:04 pm

2 Replies

9917 Views

Last post by ferdows
Thu Jun 24, 2010 10:42 pm
How to compute the system with AM05?

Last post by forsdan « Thu Jun 24, 2010 11:27 am
Replies: 7
by VASP001 » Sat Jan 09, 2010 1:53 pm

7 Replies

4406 Views

Last post by forsdan
Thu Jun 24, 2010 11:27 am
about AMIX BMIX

Last post by forsdan « Thu Jun 24, 2010 9:17 am
Replies: 1
by xinhuanwen » Thu Jun 24, 2010 1:43 am

1 Replies

2603 Views

Last post by forsdan
Thu Jun 24, 2010 9:17 am
Doubt on Running a DFT+U calculation successfully!!

Last post by boris « Thu Jun 24, 2010 7:27 am
Replies: 3
by muthukumar2k3 » Thu Jun 17, 2010 10:34 pm

3 Replies

9426 Views

Last post by boris
Thu Jun 24, 2010 7:27 am

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