Using VASP

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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

3732 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

2334 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

2509 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

3499 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

4084 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

3152 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

2533 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

2244 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

2492 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

2066 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

3339 Views

Last post by admin
Thu Apr 04, 2013 3:27 pm
Question about band structure and PROCAR

Last post by admin « Wed Apr 03, 2013 3:53 pm
Replies: 1
by blackbarrel » Tue Apr 02, 2013 2:45 pm

1 Replies

2686 Views

Last post by admin
Wed Apr 03, 2013 3:53 pm
van der Waals functional gives positive total energy to Na and K bulk

Last post by nv « Wed Apr 03, 2013 1:49 pm
Replies: 4
by zhaohui » Mon Dec 10, 2012 3:28 pm

4 Replies

6041 Views

Last post by nv
Wed Apr 03, 2013 1:49 pm
Phonons with vasp

Last post by saikat « Tue Apr 02, 2013 4:15 pm
Replies: 3
by saikat » Fri Mar 29, 2013 7:30 pm

3 Replies

2935 Views

Last post by saikat
Tue Apr 02, 2013 4:15 pm
Non-relativistic Pseudopotentials

Last post by annagarden « Tue Apr 02, 2013 12:12 pm
Replies: 4
by annagarden » Thu Mar 21, 2013 5:16 pm

4 Replies

2739 Views

Last post by annagarden
Tue Apr 02, 2013 12:12 pm
The energy of atom is positive or negative？

Last post by bsmile « Mon Apr 01, 2013 4:52 pm
Replies: 4
by dyc_2008 » Wed Mar 16, 2011 12:15 pm

4 Replies

3069 Views

Last post by bsmile
Mon Apr 01, 2013 4:52 pm
Free energy of N2 molecule

Last post by admin « Tue Mar 26, 2013 12:40 pm

by admin » Tue Mar 26, 2013 12:40 pm

0 Replies

1805 Views

Last post by admin
Tue Mar 26, 2013 12:40 pm
GGA + U(R) in VASP

Last post by admin « Tue Mar 26, 2013 11:57 am
Replies: 1
by ccsdt_vasp » Mon Mar 25, 2013 8:39 pm

1 Replies

2325 Views

Last post by admin
Tue Mar 26, 2013 11:57 am
About DIPOL tag

Last post by IGNOTUS « Tue Mar 26, 2013 9:22 am
Replies: 2
by nujjj » Wed Feb 09, 2005 7:48 pm

2 Replies

4797 Views

Last post by IGNOTUS
Tue Mar 26, 2013 9:22 am
How to determine the k point path in band structure calculation?

Last post by wuqisheng « Fri Mar 22, 2013 12:53 pm
Replies: 1
by wuqisheng » Fri Mar 22, 2013 10:39 am

1 Replies

2611 Views

Last post by wuqisheng
Fri Mar 22, 2013 12:53 pm

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