Using VASP

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work function calculation

Last post by Jiaye Li « Sat Feb 23, 2008 9:46 am
Replies: 2
by Jiaye Li » Tue Feb 19, 2008 7:52 am

2 Replies

2423 Views

Last post by Jiaye Li
Sat Feb 23, 2008 9:46 am
Convergence problem in electronic relaxation of surface slab

Last post by admin « Fri Feb 22, 2008 1:22 pm
Replies: 3
by cwandtj » Wed Feb 20, 2008 8:23 pm

3 Replies

8986 Views

Last post by admin
Fri Feb 22, 2008 1:22 pm
which software is good for visualization of CHGCAR result on Ubuntu 7.10 system?

Last post by job « Thu Feb 21, 2008 12:51 pm
Replies: 2
by lqzhang » Thu Feb 14, 2008 3:55 am

2 Replies

3544 Views

Last post by job
Thu Feb 21, 2008 12:51 pm
NEB: tangent and chain-force are NaN for the last image

Last post by linpo « Wed Feb 20, 2008 7:01 pm
Replies: 2
by linpo » Wed Feb 20, 2008 5:35 pm

2 Replies

3357 Views

Last post by linpo
Wed Feb 20, 2008 7:01 pm
Questions about MAGMOM-tag / CHGCAR file

Last post by admin « Wed Feb 20, 2008 8:06 am
Replies: 4
by boris » Wed Jan 16, 2008 2:30 pm

4 Replies

5532 Views

Last post by admin
Wed Feb 20, 2008 8:06 am
Thermodynamic integration

Last post by mf081 « Tue Feb 19, 2008 3:44 pm
Replies: 3
by mf081 » Fri Feb 01, 2008 3:26 pm

3 Replies

2918 Views

Last post by mf081
Tue Feb 19, 2008 3:44 pm
Can we reproduce Heli(or screw)magnetism?

Last post by forsdan « Sat Feb 16, 2008 8:34 am
Replies: 1
by againsmile » Fri Feb 15, 2008 8:10 pm

1 Replies

2136 Views

Last post by forsdan
Sat Feb 16, 2008 8:34 am
setting initial velocities

Last post by admin « Fri Feb 15, 2008 9:20 am
Replies: 1
by cdt9f » Thu Feb 14, 2008 5:02 pm

1 Replies

1891 Views

Last post by admin
Fri Feb 15, 2008 9:20 am
install vmd on ubuntu 7.10, no error message, could not work

Last post by lqzhang « Thu Feb 14, 2008 10:33 pm
Replies: 1
by lqzhang » Thu Feb 14, 2008 3:53 pm

1 Replies

2973 Views

Last post by lqzhang
Thu Feb 14, 2008 10:33 pm
MAGMOM tag

Last post by boris « Thu Feb 14, 2008 12:01 pm
Replies: 4
by zlch5 » Wed Feb 13, 2008 4:49 am

4 Replies

5490 Views

Last post by boris
Thu Feb 14, 2008 12:01 pm
stress unit convertion from kB to GPa? potcar for He?

Last post by forsdan « Thu Feb 14, 2008 9:25 am
Replies: 1
by lqzhang » Thu Feb 14, 2008 3:51 am

1 Replies

4991 Views

Last post by forsdan
Thu Feb 14, 2008 9:25 am
Magnetic moment

Last post by forsdan « Sun Feb 10, 2008 7:25 pm
Replies: 1
by saswata » Sun Feb 10, 2008 4:48 am

1 Replies

3464 Views

Last post by forsdan
Sun Feb 10, 2008 7:25 pm
relax problem

Last post by admin « Fri Feb 08, 2008 10:16 am
Replies: 1
by rudra-b » Fri Feb 08, 2008 3:38 am

1 Replies

1824 Views

Last post by admin
Fri Feb 08, 2008 10:16 am
ICHAGR and Magmom setting

Last post by boris « Fri Feb 08, 2008 7:29 am
Replies: 1
by againsmile » Fri Feb 08, 2008 12:04 am

1 Replies

2127 Views

Last post by boris
Fri Feb 08, 2008 7:29 am
PROJECTED DOS

Last post by admin « Thu Feb 07, 2008 1:41 pm
Replies: 3
by abc » Wed Feb 06, 2008 12:10 pm

3 Replies

2686 Views

Last post by admin
Thu Feb 07, 2008 1:41 pm
poor geometry convergence even with accurate parameters

Last post by admin « Thu Feb 07, 2008 1:35 pm
Replies: 1
by cpp6f » Wed Feb 06, 2008 8:34 pm

1 Replies

2008 Views

Last post by admin
Thu Feb 07, 2008 1:35 pm
GGA tag

Last post by saswata « Tue Feb 05, 2008 4:17 am
Replies: 2
by saswata » Mon Feb 04, 2008 11:28 am

2 Replies

2111 Views

Last post by saswata
Tue Feb 05, 2008 4:17 am
Question about Berry's phase calculation

Last post by forsdan « Sun Feb 03, 2008 10:09 am
Replies: 3
by chorawut » Thu Nov 22, 2007 11:05 am

3 Replies

2469 Views

Last post by forsdan
Sun Feb 03, 2008 10:09 am
GGA+U

Last post by admin « Fri Feb 01, 2008 1:33 pm
Replies: 1
by ts25 » Wed Jan 30, 2008 4:18 pm

1 Replies

1788 Views

Last post by admin
Fri Feb 01, 2008 1:33 pm
Energy change during optimization

Last post by admin « Wed Jan 30, 2008 1:58 pm
Replies: 1
by hfruchtl » Wed Jan 30, 2008 11:18 am

1 Replies

1952 Views

Last post by admin
Wed Jan 30, 2008 1:58 pm

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