Using VASP

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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

3571 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

3448 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

4625 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

3720 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

8060 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

4175 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

4131 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

4427 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

2630 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

3165 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

6811 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

3681 Views

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

Last post by parnian « Fri Mar 22, 2013 11:03 am
Replies: 3
by parnian » Wed Mar 20, 2013 2:40 pm

3 Replies

4979 Views

Last post by parnian
Fri Mar 22, 2013 11:03 am
Adsorption of N atom to metal surface

Last post by annagarden « Thu Mar 21, 2013 5:12 pm
Replies: 7
by annagarden » Mon Mar 11, 2013 5:49 pm

7 Replies

8812 Views

Last post by annagarden
Thu Mar 21, 2013 5:12 pm
What does VASP consider a small band gap?

Last post by jlbettis « Wed Mar 20, 2013 5:08 pm
Replies: 2
by jlbettis » Wed Mar 20, 2013 3:32 am

2 Replies

3253 Views

Last post by jlbettis
Wed Mar 20, 2013 5:08 pm
vibrational frequency calculations

Last post by apple « Tue Mar 19, 2013 3:22 pm
Replies: 2
by apple » Fri Mar 15, 2013 8:29 pm

2 Replies

4431 Views

Last post by apple
Tue Mar 19, 2013 3:22 pm
Visualize the Wavefunction

Last post by xcid « Mon Mar 18, 2013 4:03 pm
Replies: 15
by okuno » Mon Aug 17, 2009 10:03 am
1

2
15 Replies

24894 Views

Last post by xcid
Mon Mar 18, 2013 4:03 pm
Total Energy from GW

Last post by admin « Mon Mar 18, 2013 2:22 pm
Replies: 2
by Malediction » Tue Mar 12, 2013 2:13 am

2 Replies

3179 Views

Last post by admin
Mon Mar 18, 2013 2:22 pm
CHGCAR format?

Last post by maartendft « Sat Mar 16, 2013 10:24 pm
Replies: 2
by topl8921 » Wed Feb 20, 2013 1:59 pm

2 Replies

11118 Views

Last post by maartendft
Sat Mar 16, 2013 10:24 pm
need 64 atom super cell of mgo for vasp poscar file

Last post by maartendft « Sat Mar 16, 2013 10:14 pm
Replies: 7
by lqzhang » Tue Apr 05, 2011 3:17 pm

7 Replies

7665 Views

Last post by maartendft
Sat Mar 16, 2013 10:14 pm

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