Using VASP

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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

7337 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

5730 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

3849 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

3957 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

5368 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

4094 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

4674 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

5190 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

3809 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

4058 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

4539 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

5920 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

4909 Views

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

Last post by admin « Mon Jan 28, 2008 12:01 pm
Replies: 1
by saswata » Fri Jan 18, 2008 10:48 am

1 Replies

4070 Views

Last post by admin
Mon Jan 28, 2008 12:01 pm
selective relaxation of cell parameters

Last post by admin « Mon Jan 28, 2008 10:33 am
Replies: 1
by rgc » Thu Jan 17, 2008 7:45 am

1 Replies

4221 Views

Last post by admin
Mon Jan 28, 2008 10:33 am
Convergence problem

Last post by admin « Mon Jan 28, 2008 10:03 am
Replies: 2
by dan » Tue Jan 15, 2008 4:13 pm

2 Replies

6245 Views

Last post by admin
Mon Jan 28, 2008 10:03 am
Please give me your help.

Last post by admin « Mon Jan 28, 2008 9:55 am
Replies: 1
by matylove » Tue Jan 15, 2008 1:50 pm

1 Replies

3583 Views

Last post by admin
Mon Jan 28, 2008 9:55 am
NBO

Last post by admin « Mon Jan 28, 2008 9:51 am
Replies: 1
by minyork » Mon Jan 14, 2008 4:21 pm

1 Replies

4948 Views

Last post by admin
Mon Jan 28, 2008 9:51 am
About Smearing Methods for small gap materials

Last post by admin « Mon Jan 28, 2008 9:50 am
Replies: 1
by cyc99 » Tue Jan 08, 2008 8:33 pm

1 Replies

4363 Views

Last post by admin
Mon Jan 28, 2008 9:50 am
L(S)DA+U and charge disproportionation problem

Last post by admin « Mon Jan 28, 2008 9:48 am
Replies: 1
by againsmile » Tue Jan 08, 2008 8:05 pm

1 Replies

4074 Views

Last post by admin
Mon Jan 28, 2008 9:48 am

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