Using VASP

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frequency calculations?

Last post by forsdan « Mon Oct 25, 2010 11:12 am
Replies: 2
by Imran » Sat Oct 23, 2010 8:58 pm

2 Replies

3337 Views

Last post by forsdan
Mon Oct 25, 2010 11:12 am
VASP running problem : rtc_invalidate error

Last post by forsdan « Sun Oct 24, 2010 10:06 am
Replies: 5
by prithwish » Sat Dec 19, 2009 6:39 am

5 Replies

5260 Views

Last post by forsdan
Sun Oct 24, 2010 10:06 am
about the weak interactions

Last post by forsdan « Wed Oct 20, 2010 10:58 am
Replies: 1
by lgxyz » Wed Oct 20, 2010 6:46 am

1 Replies

2856 Views

Last post by forsdan
Wed Oct 20, 2010 10:58 am
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

4394 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

4354 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

4769 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

2813 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

3693 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

3671 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

12417 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

2703 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

2702 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

4485 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

3021 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

4530 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

4140 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

7738 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

8222 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

4030 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

4336 Views

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

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