Using VASP

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Integrated DOS and the total number of (valence) electrons

Last post by terencelz « Wed May 08, 2013 7:43 am
Replies: 1
by terencelz » Tue May 07, 2013 11:47 pm

1 Replies

2412 Views

Last post by terencelz
Wed May 08, 2013 7:43 am
How to calculate the energy of Co

Last post by lu_wei07 « Sun May 05, 2013 2:32 pm
Replies: 2
by lu_wei07 » Wed May 01, 2013 3:24 pm

2 Replies

1234 Views

Last post by lu_wei07
Sun May 05, 2013 2:32 pm
Gamma point degeneracy in SiC phonon dispersion curve

Last post by liulcc « Fri May 03, 2013 3:03 am
Replies: 3
by buddyzyw » Sun Jan 13, 2013 11:31 pm

3 Replies

2561 Views

Last post by liulcc
Fri May 03, 2013 3:03 am
Uranium with DFT+U

Last post by ccccc « Wed May 01, 2013 1:52 pm
Replies: 3
by ccccc » Thu Mar 28, 2013 7:22 pm

3 Replies

1822 Views

Last post by ccccc
Wed May 01, 2013 1:52 pm
Can VASP 5.2.12 run NMR?

Last post by wxp1357 « Mon Apr 29, 2013 12:09 pm
Replies: 7
by wxp1357 » Tue Apr 23, 2013 4:08 am

7 Replies

3525 Views

Last post by wxp1357
Mon Apr 29, 2013 12:09 pm
Graphene

Last post by lalitha « Mon Apr 29, 2013 11:35 am
Replies: 2
by lalitha » Fri Apr 26, 2013 6:54 am

2 Replies

1279 Views

Last post by lalitha
Mon Apr 29, 2013 11:35 am
making poscar file for a specified space group

Last post by shyam « Mon Apr 29, 2013 11:19 am
Replies: 6
by shyam » Thu Apr 18, 2013 8:57 am

6 Replies

3206 Views

Last post by shyam
Mon Apr 29, 2013 11:19 am
Noncollinear calculation and MAGMOM tag

Last post by suddha « Fri Apr 26, 2013 1:02 pm
Replies: 2
by suddha » Fri Apr 26, 2013 10:26 am

2 Replies

2217 Views

Last post by suddha
Fri Apr 26, 2013 1:02 pm
problem related to PW91 functional?

Last post by admin « Fri Apr 19, 2013 11:34 am
Replies: 1
by tanyaohua » Thu Apr 18, 2013 8:26 pm

1 Replies

1086 Views

Last post by admin
Fri Apr 19, 2013 11:34 am
RSPHER: internal ERROR from AIMD with VASP

Last post by cenwanglai « Fri Apr 19, 2013 3:03 am
Replies: 1
by cenwanglai » Fri Apr 19, 2013 3:00 am

1 Replies

2845 Views

Last post by cenwanglai
Fri Apr 19, 2013 3:03 am
Oxygen evolution reaction/ reproduction of volcano plot

Last post by admin « Thu Apr 18, 2013 12:52 pm
Replies: 1
by seoin0226 » Thu Apr 18, 2013 9:33 am

1 Replies

1616 Views

Last post by admin
Thu Apr 18, 2013 12:52 pm
How to calculate the Poisson's ratio?

Last post by admin « Thu Apr 18, 2013 12:22 pm
Replies: 1
by dyc_2008 » Thu Apr 18, 2013 3:42 am

1 Replies

1711 Views

Last post by admin
Thu Apr 18, 2013 12:22 pm
Dynamics with VASP

Last post by lcagide « Wed Apr 17, 2013 11:45 am
Replies: 4
by lcagide » Tue Apr 02, 2013 5:05 pm

4 Replies

2336 Views

Last post by lcagide
Wed Apr 17, 2013 11:45 am
Which POTCAR should be used for vdW-DF2

Last post by kelum « Wed Apr 17, 2013 10:53 am
Replies: 1
by huangj3 » Tue Apr 16, 2013 5:55 pm

1 Replies

2974 Views

Last post by kelum
Wed Apr 17, 2013 10:53 am
How to calculate fermi velocity of graphene？

Last post by zhangjinmt « Thu Apr 11, 2013 3:51 pm
Replies: 2
by zhangjinmt » Thu Apr 11, 2013 11:25 am

2 Replies

1832 Views

Last post by zhangjinmt
Thu Apr 11, 2013 3:51 pm
Can HSEsol calculations be run by version 5.2.12?

Last post by tfarmstrong « Thu Apr 11, 2013 9:37 am
Replies: 1
by felixvasp » Wed May 09, 2012 3:13 pm

1 Replies

1843 Views

Last post by tfarmstrong
Thu Apr 11, 2013 9:37 am
Magnetization Density for noncolinear system

Last post by jlbettis « Tue Apr 09, 2013 6:34 pm
Replies: 1
by tyson » Wed Mar 27, 2013 2:17 am

1 Replies

1588 Views

Last post by jlbettis
Tue Apr 09, 2013 6:34 pm
finding the correct magnetic moment

Last post by admin « Tue Apr 09, 2013 2:45 pm
Replies: 1
by vasp_user » Tue Apr 09, 2013 6:28 am

1 Replies

1811 Views

Last post by admin
Tue Apr 09, 2013 2:45 pm
Determining fractional coordinates in POSC

Last post by admin « Tue Apr 09, 2013 10:26 am
Replies: 2
by chatfat » Mon Apr 08, 2013 6:32 pm

2 Replies

1189 Views

Last post by admin
Tue Apr 09, 2013 10:26 am
Questions about velocities in VASP

Last post by admin « Thu Apr 04, 2013 3:27 pm
Replies: 1
by gael » Fri Mar 29, 2013 11:10 am

1 Replies

2401 Views

Last post by admin
Thu Apr 04, 2013 3:27 pm

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