Using VASP

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Energy minima vs Pressure minima

Last post by admin « Fri Mar 12, 2010 9:49 am
Replies: 3
by rpf » Thu Mar 11, 2010 9:19 am

3 Replies

3096 Views

Last post by admin
Fri Mar 12, 2010 9:49 am
the heating rate in molecular dynamics

Last post by admin « Thu Mar 11, 2010 4:21 pm
Replies: 1
by fegg7502 » Thu Mar 11, 2010 9:46 am

1 Replies

2570 Views

Last post by admin
Thu Mar 11, 2010 4:21 pm
Fixing magnetic moment on each atom in a noncollinear magnetic calculation

Last post by forsdan « Wed Mar 10, 2010 6:35 pm
Replies: 1
by prithwish » Tue Mar 09, 2010 12:32 pm

1 Replies

4254 Views

Last post by forsdan
Wed Mar 10, 2010 6:35 pm
question on the method for smoothed DOS data

Last post by Danny « Mon Mar 08, 2010 11:14 am
Replies: 2
by luke419 » Tue Feb 16, 2010 8:05 am

2 Replies

4719 Views

Last post by Danny
Mon Mar 08, 2010 11:14 am
questions on DOS for semiconductor or insulator

Last post by admin « Fri Mar 05, 2010 8:47 pm
Replies: 1
by luke419 » Mon Feb 22, 2010 2:03 am

1 Replies

2851 Views

Last post by admin
Fri Mar 05, 2010 8:47 pm
When I use the hybrid HSE or PBE0, Should I must use the PBE pseudopotentials?

Last post by admin « Fri Mar 05, 2010 8:38 pm
Replies: 1
by huangdan » Thu Feb 25, 2010 3:17 am

1 Replies

3306 Views

Last post by admin
Fri Mar 05, 2010 8:38 pm
lattice constant problem

Last post by admin « Fri Mar 05, 2010 8:29 pm
Replies: 6
by hehui » Tue Apr 18, 2006 7:05 am

6 Replies

7054 Views

Last post by admin
Fri Mar 05, 2010 8:29 pm
where is the module 'prec'

Last post by admin « Fri Mar 05, 2010 8:25 pm
Replies: 2
by zhuanghl » Sat Feb 27, 2010 6:35 pm

2 Replies

3254 Views

Last post by admin
Fri Mar 05, 2010 8:25 pm
How can I do my HSE-hybrid calculation?

Last post by admin « Fri Mar 05, 2010 8:24 pm
Replies: 1
by huangdan » Wed Mar 03, 2010 7:35 pm

1 Replies

3307 Views

Last post by admin
Fri Mar 05, 2010 8:24 pm
HF convergence problem

Last post by wcwang « Fri Mar 05, 2010 4:43 pm
Replies: 5
by wcwang » Sun Feb 28, 2010 7:37 pm

5 Replies

4900 Views

Last post by wcwang
Fri Mar 05, 2010 4:43 pm
ZnO polar surfaces

Last post by giacomo giorgi « Fri Mar 05, 2010 1:27 am
Replies: 3
by giacomo giorgi » Fri Feb 26, 2010 10:18 am

3 Replies

4367 Views

Last post by giacomo giorgi
Fri Mar 05, 2010 1:27 am
Non-collinear magnetism Problem

Last post by admin « Thu Mar 04, 2010 4:58 pm
Replies: 2
by valsa_mc » Tue Mar 02, 2010 10:49 am

2 Replies

5041 Views

Last post by admin
Thu Mar 04, 2010 4:58 pm
Caculation of DOS and band structure need ionic relaxation?

Last post by admin « Thu Mar 04, 2010 4:48 pm
Replies: 4
by opvu » Fri May 12, 2006 2:33 am

4 Replies

5519 Views

Last post by admin
Thu Mar 04, 2010 4:48 pm
compare DOS of different runs

Last post by kristen « Tue Mar 02, 2010 5:47 am
Replies: 5
by phil » Tue Aug 22, 2006 11:33 am

5 Replies

4973 Views

Last post by kristen
Tue Mar 02, 2010 5:47 am
Error on read CHGCAR

Last post by alexandre « Fri Feb 26, 2010 7:06 pm
Replies: 6
by alexandre » Wed Feb 24, 2010 1:40 pm

6 Replies

9140 Views

Last post by alexandre
Fri Feb 26, 2010 7:06 pm
NEB calculation

Last post by ccccc « Thu Feb 25, 2010 3:35 pm
Replies: 4
by ccccc » Thu Feb 25, 2010 9:10 am

4 Replies

3895 Views

Last post by ccccc
Thu Feb 25, 2010 3:35 pm
How to take macroscopic-averaged electrostatic potential?

Last post by alex « Thu Feb 25, 2010 8:01 am
Replies: 1
by bruent » Thu Feb 25, 2010 5:48 am

1 Replies

3862 Views

Last post by alex
Thu Feb 25, 2010 8:01 am
vtotav.f tool

Last post by bruent « Thu Feb 25, 2010 5:42 am
Replies: 1
by monoj » Fri Feb 12, 2010 12:02 pm

1 Replies

5238 Views

Last post by bruent
Thu Feb 25, 2010 5:42 am
Calculation at Gamma Point (Hexagonal Cell)

Last post by tyson « Tue Feb 23, 2010 9:59 pm
Replies: 2
by tyson » Mon Feb 22, 2010 10:48 pm

2 Replies

12076 Views

Last post by tyson
Tue Feb 23, 2010 9:59 pm
Empty DOSCAR & EIGENVAL files for GW0 Calculations?

Last post by Mahlaga « Tue Feb 23, 2010 10:15 am
Replies: 3
by Mahlaga » Mon Feb 22, 2010 1:08 pm

3 Replies

4398 Views

Last post by Mahlaga
Tue Feb 23, 2010 10:15 am

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