Using VASP

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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

4919 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

7521 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

4824 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

3165 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

3091 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

4265 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

7685 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

6438 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

4952 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

3108 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

3229 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

4344 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

3328 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

3814 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

4224 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

3079 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

3269 Views

Last post by admin
Wed Jan 30, 2008 1:58 pm
...DOSCAR with non-collinear calculations...

Last post by admin « Wed Jan 30, 2008 9:44 am
Replies: 1
by brocks » Mon Jan 28, 2008 2:54 pm

1 Replies

3756 Views

Last post by admin
Wed Jan 30, 2008 9:44 am
normalization electronic density of states

Last post by admin « Wed Jan 30, 2008 9:33 am
Replies: 1
by ahromero » Tue Jan 29, 2008 10:58 pm

1 Replies

5106 Views

Last post by admin
Wed Jan 30, 2008 9:33 am
Units of stress tensor in vasprun.xml

Last post by admin « Mon Jan 28, 2008 12:55 pm
Replies: 1
by michaeleric.williams » Thu Jan 24, 2008 1:55 pm

1 Replies

4161 Views

Last post by admin
Mon Jan 28, 2008 12:55 pm

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