Using VASP

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how to get mechanical constant

Last post by forsdan « Tue Oct 19, 2010 5:43 pm
Replies: 4
by dyc_2008 » Fri Oct 15, 2010 4:59 am

4 Replies

1849 Views

Last post by forsdan
Tue Oct 19, 2010 5:43 pm
Missing electrons if spd-site projected

Last post by forsdan « Tue Oct 19, 2010 5:30 pm
Replies: 2
by physicalattraction » Tue Oct 19, 2010 3:45 pm

2 Replies

2512 Views

Last post by forsdan
Tue Oct 19, 2010 5:30 pm
HSE calculations

Last post by apple « Tue Oct 19, 2010 3:23 pm
Replies: 4
by apple » Sat Oct 09, 2010 1:04 am

4 Replies

2137 Views

Last post by apple
Tue Oct 19, 2010 3:23 pm
how we can get information from OUTCAR

Last post by riche « Tue Oct 19, 2010 9:54 am
Replies: 1
by dyc_2008 » Tue Oct 12, 2010 11:51 am

1 Replies

1254 Views

Last post by riche
Tue Oct 19, 2010 9:54 am
Elastic constants for hex systems

Last post by riche « Tue Oct 19, 2010 9:41 am
Replies: 1
by ynwu » Fri Oct 15, 2010 4:46 am

1 Replies

2309 Views

Last post by riche
Tue Oct 19, 2010 9:41 am
CHG file

Last post by riche « Tue Oct 19, 2010 9:33 am
Replies: 3
by neo » Wed Oct 13, 2010 6:18 am

3 Replies

1527 Views

Last post by riche
Tue Oct 19, 2010 9:33 am
About the Fermi energy defined in VASP

Last post by tlchan « Sat Oct 16, 2010 6:17 pm
Replies: 2
by pengx » Fri Oct 15, 2010 5:34 am

2 Replies

9744 Views

Last post by tlchan
Sat Oct 16, 2010 6:17 pm
total energy calculation

Last post by forsdan « Wed Oct 13, 2010 2:55 pm
Replies: 1
by gevolo » Wed Oct 13, 2010 10:15 am

1 Replies

1288 Views

Last post by forsdan
Wed Oct 13, 2010 2:55 pm
why this nve simulation could not work?

Last post by lqzhang « Tue Oct 12, 2010 2:58 am
Replies: 1
by lqzhang » Mon Oct 11, 2010 2:14 pm

1 Replies

1286 Views

Last post by lqzhang
Tue Oct 12, 2010 2:58 am
what does relaxing mean？

Last post by dyc_2008 « Fri Oct 08, 2010 4:05 am
Replies: 3
by dyc_2008 » Wed Sep 29, 2010 3:28 am

3 Replies

2031 Views

Last post by dyc_2008
Fri Oct 08, 2010 4:05 am
How to set the weight of coordinates in K-file

Last post by dyc_2008 « Fri Oct 08, 2010 3:59 am
Replies: 2
by dyc_2008 » Thu Sep 30, 2010 1:33 am

2 Replies

1135 Views

Last post by dyc_2008
Fri Oct 08, 2010 3:59 am
Non-collinear Calulations

Last post by forsdan « Thu Oct 07, 2010 11:15 am
Replies: 3
by fuzzylogic » Thu Oct 07, 2010 4:37 am

3 Replies

2060 Views

Last post by forsdan
Thu Oct 07, 2010 11:15 am
hOW isVASP surface simulations, calculations

Last post by cangunaltay « Mon Oct 04, 2010 8:33 pm
Replies: 3
by cangunaltay » Sun Oct 03, 2010 10:19 pm

3 Replies

1731 Views

Last post by cangunaltay
Mon Oct 04, 2010 8:33 pm
Graphene Calculation problem

Last post by metosa « Sun Oct 03, 2010 4:16 pm
Replies: 5
by PhyChemKang » Fri Oct 01, 2010 4:39 pm

5 Replies

4443 Views

Last post by metosa
Sun Oct 03, 2010 4:16 pm
Too many bands in the result

Last post by pkroll « Fri Oct 01, 2010 11:29 pm
Replies: 6
by tomic » Tue Aug 17, 2010 9:47 am

6 Replies

4494 Views

Last post by pkroll
Fri Oct 01, 2010 11:29 pm
How can I use the file of constr_cell_relax.F of VASP?

Last post by pkroll « Fri Oct 01, 2010 11:19 pm
Replies: 2
by zdhlover » Tue Sep 21, 2010 3:41 am

2 Replies

2148 Views

Last post by pkroll
Fri Oct 01, 2010 11:19 pm
DFT+U

Last post by apple « Fri Oct 01, 2010 10:25 pm
Replies: 3
by apple » Tue Sep 28, 2010 3:20 am

3 Replies

1792 Views

Last post by apple
Fri Oct 01, 2010 10:25 pm
Simple Question

Last post by PhyChemKang « Wed Sep 29, 2010 2:25 am
Replies: 2
by PhyChemKang » Tue Sep 28, 2010 11:59 am

2 Replies

1287 Views

Last post by PhyChemKang
Wed Sep 29, 2010 2:25 am
a question about POSCAR

Last post by dyc_2008 « Wed Sep 29, 2010 1:26 am
Replies: 2
by dyc_2008 » Tue Sep 28, 2010 12:09 pm

2 Replies

1275 Views

Last post by dyc_2008
Wed Sep 29, 2010 1:26 am
A semple question form a new user

Last post by metosa « Tue Sep 28, 2010 8:43 pm
Replies: 3
by dyc_2008 » Tue Sep 28, 2010 8:29 am

3 Replies

1244 Views

Last post by metosa
Tue Sep 28, 2010 8:43 pm

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