Using VASP

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PAW-LDA Yb potential file

Last post by Danny « Tue Apr 27, 2010 2:25 pm
Replies: 1
by Danny » Tue Apr 27, 2010 1:27 pm

1 Replies

1399 Views

Last post by Danny
Tue Apr 27, 2010 2:25 pm
Visualize VASP output files

Last post by Danny « Tue Apr 27, 2010 1:29 pm
Replies: 1
by Rayan » Sun Apr 25, 2010 2:55 pm

1 Replies

2675 Views

Last post by Danny
Tue Apr 27, 2010 1:29 pm
Temperature during molecular dynamics

Last post by neo « Sun Apr 25, 2010 5:02 pm
Replies: 2
by neo » Sun Apr 25, 2010 11:14 am

2 Replies

4454 Views

Last post by neo
Sun Apr 25, 2010 5:02 pm
Using AM05 calculate the bandstructure facing the questions?

Last post by forsdan « Sat Apr 24, 2010 8:43 pm
Replies: 4
by VASP001 » Tue Apr 13, 2010 2:07 am

4 Replies

1813 Views

Last post by forsdan
Sat Apr 24, 2010 8:43 pm
How to calculate ionization potential and electron affinity?

Last post by tlchan « Thu Apr 22, 2010 1:35 pm
Replies: 1
by YunLi » Thu Apr 22, 2010 4:37 am

1 Replies

3372 Views

Last post by tlchan
Thu Apr 22, 2010 1:35 pm
How to set the RWIGS tag in INCAR??

Last post by amul1umt « Wed Apr 21, 2010 8:30 pm
Replies: 2
by wfei » Thu Apr 20, 2006 1:26 pm

2 Replies

1761 Views

Last post by amul1umt
Wed Apr 21, 2010 8:30 pm
DOS/PDOS stuck at "Maximum index for non-local projection operator"

Last post by bkappes « Wed Apr 21, 2010 4:12 pm
Replies: 1
by bkappes » Mon Apr 19, 2010 2:28 pm

1 Replies

1594 Views

Last post by bkappes
Wed Apr 21, 2010 4:12 pm
projected bands

Last post by giacomo giorgi « Wed Apr 21, 2010 12:04 pm
Replies: 9
by giacomo giorgi » Wed Apr 14, 2010 3:21 pm

9 Replies

4541 Views

Last post by giacomo giorgi
Wed Apr 21, 2010 12:04 pm
Structural optimisation of CNT (13,0)

Last post by mikeb86 « Wed Apr 21, 2010 10:12 am
Replies: 3
by mikeb86 » Thu Apr 15, 2010 10:06 am

3 Replies

1914 Views

Last post by mikeb86
Wed Apr 21, 2010 10:12 am
LDA+U, Spin-Orbit Coupling and Orbital Moment

Last post by boris « Tue Apr 20, 2010 5:38 pm
Replies: 6
by boris » Fri Apr 16, 2010 12:55 pm

6 Replies

4330 Views

Last post by boris
Tue Apr 20, 2010 5:38 pm
anti-ferromagnetism

Last post by apple « Sat Apr 17, 2010 5:44 pm
Replies: 2
by apple » Sat Apr 17, 2010 2:59 pm

2 Replies

2303 Views

Last post by apple
Sat Apr 17, 2010 5:44 pm
DIPOLE MOMENT for a vacuum molecule

Last post by Eduard « Thu Apr 15, 2010 10:16 am
Replies: 1
by Eduard » Fri Dec 18, 2009 4:12 pm

1 Replies

3225 Views

Last post by Eduard
Thu Apr 15, 2010 10:16 am
H2 dissociation energy

Last post by admin « Thu Apr 15, 2010 9:51 am
Replies: 13
by pavel » Tue Sep 25, 2007 2:45 pm

13 Replies

12570 Views

Last post by admin
Thu Apr 15, 2010 9:51 am
EFIELD unit

Last post by yjwang « Wed Apr 14, 2010 2:26 pm
Replies: 3
by zlch5 » Thu Mar 09, 2006 10:43 pm

3 Replies

4459 Views

Last post by yjwang
Wed Apr 14, 2010 2:26 pm
How can I get "STRUCTURE FACTOR" from MD simulation?

Last post by maryam « Wed Apr 14, 2010 7:41 am
Replies: 2
by maryam » Mon Apr 12, 2010 12:24 pm

2 Replies

2567 Views

Last post by maryam
Wed Apr 14, 2010 7:41 am
How to optimize AMIX_MAG and BMIX_MAG

Last post by JohnnyTsien « Mon Apr 12, 2010 2:48 pm
Replies: 2
by JohnnyTsien » Sun Apr 11, 2010 3:15 am

2 Replies

2469 Views

Last post by JohnnyTsien
Mon Apr 12, 2010 2:48 pm
charge state of defect

Last post by admin « Mon Apr 12, 2010 10:34 am
Replies: 1
by zhu » Mon Apr 12, 2010 9:40 am

1 Replies

2500 Views

Last post by admin
Mon Apr 12, 2010 10:34 am
How many cpus are needed

Last post by panda « Thu Apr 08, 2010 1:51 pm
Replies: 3
by zhuanghl » Sun Apr 04, 2010 6:21 am

3 Replies

1544 Views

Last post by panda
Thu Apr 08, 2010 1:51 pm
How to get metal oxide slab converge to specific AFM configuration

Last post by JohnnyTsien « Thu Apr 08, 2010 2:54 am
Replies: 5
by JohnnyTsien » Wed Apr 07, 2010 6:46 am

5 Replies

3686 Views

Last post by JohnnyTsien
Thu Apr 08, 2010 2:54 am
VWN and magnetic systems with PBE

Last post by rgc « Wed Apr 07, 2010 4:06 pm
Replies: 2
by rgc » Wed Apr 07, 2010 2:05 pm

2 Replies

1980 Views

Last post by rgc
Wed Apr 07, 2010 4:06 pm

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