Using VASP

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about calculation of adsorption energy

Last post by lanjh « Wed May 30, 2007 12:23 pm
Replies: 3
by lanjh » Mon May 28, 2007 5:11 am

3 Replies

4958 Views

Last post by lanjh
Wed May 30, 2007 12:23 pm
zbrent:interpolating 出现这样的语句在循环中，结果还是可信的吗？？？

Last post by truemantian « Wed May 30, 2007 1:24 am
Replies: 2
by truemantian » Thu May 24, 2007 11:30 am

2 Replies

7762 Views

Last post by truemantian
Wed May 30, 2007 1:24 am
Partial Charge

Last post by bentmann « Tue May 29, 2007 4:46 pm
Replies: 2
by bentmann » Mon May 28, 2007 8:05 pm

2 Replies

4526 Views

Last post by bentmann
Tue May 29, 2007 4:46 pm
question about free energy

Last post by admin « Tue May 29, 2007 9:40 am
Replies: 1
by Piney » Mon May 28, 2007 1:12 pm

1 Replies

3642 Views

Last post by admin
Tue May 29, 2007 9:40 am
Orbital moment of cobalt oxide

Last post by admin « Fri May 25, 2007 11:57 am
Replies: 1
by zibi » Fri May 11, 2007 5:40 am

1 Replies

5248 Views

Last post by admin
Fri May 25, 2007 11:57 am
EIGENVAL

Last post by admin « Fri May 25, 2007 11:47 am
Replies: 1
by saswata » Tue May 22, 2007 3:57 am

1 Replies

4516 Views

Last post by admin
Fri May 25, 2007 11:47 am
CHGCAR

Last post by admin « Fri May 25, 2007 11:46 am
Replies: 1
by jaisudha » Tue May 22, 2007 5:41 am

1 Replies

3636 Views

Last post by admin
Fri May 25, 2007 11:46 am
can i use odd Monkhorst Pack Kpoint for small supercells

Last post by admin « Wed May 23, 2007 12:56 pm
Replies: 3
by magnones » Thu May 17, 2007 8:34 am

3 Replies

6090 Views

Last post by admin
Wed May 23, 2007 12:56 pm
Calculating Inverse Participation Ratio - Reading WAVECAR

Last post by padilha_ifusp « Sat May 19, 2007 9:23 pm
Replies: 2
by padilha_ifusp » Tue May 15, 2007 3:59 am

2 Replies

6082 Views

Last post by padilha_ifusp
Sat May 19, 2007 9:23 pm
should magetisation always be an integer number?

Last post by hra « Thu May 17, 2007 10:24 pm
Replies: 2
by rgc » Thu Apr 12, 2007 10:11 am

2 Replies

5201 Views

Last post by hra
Thu May 17, 2007 10:24 pm
IONS

Last post by castro « Wed May 16, 2007 2:28 pm
Replies: 2
by castro » Tue Apr 17, 2007 7:57 pm

2 Replies

4306 Views

Last post by castro
Wed May 16, 2007 2:28 pm
Query

Last post by admin « Tue May 15, 2007 3:05 pm
Replies: 1
by kca002 » Sat May 12, 2007 12:36 am

1 Replies

4713 Views

Last post by admin
Tue May 15, 2007 3:05 pm
OPTIC VASP 4.6

Last post by angie « Mon May 14, 2007 12:56 pm
Replies: 2
by kamala » Fri May 11, 2007 7:36 am

2 Replies

4136 Views

Last post by angie
Mon May 14, 2007 12:56 pm
about cohesive energy

Last post by admin « Fri May 11, 2007 2:33 pm
Replies: 1
by xffan » Fri May 11, 2007 7:59 am

1 Replies

4482 Views

Last post by admin
Fri May 11, 2007 2:33 pm
for Si lattice constant

Last post by admin « Fri May 11, 2007 2:16 pm
Replies: 1
by xffan » Fri May 11, 2007 8:21 am

1 Replies

4087 Views

Last post by admin
Fri May 11, 2007 2:16 pm
DOS result problem?

Last post by admin « Tue May 08, 2007 7:22 am
Replies: 4
by nus11 » Thu Apr 19, 2007 4:51 am

4 Replies

5922 Views

Last post by admin
Tue May 08, 2007 7:22 am
Zero point energy

Last post by admin « Wed May 02, 2007 12:07 pm
Replies: 2
by againsmile » Sat Apr 21, 2007 2:08 am

2 Replies

5971 Views

Last post by admin
Wed May 02, 2007 12:07 pm
...band structure problem...

Last post by admin « Wed May 02, 2007 11:56 am
Replies: 3
by brocks » Sat Mar 10, 2007 5:58 pm

3 Replies

7159 Views

Last post by admin
Wed May 02, 2007 11:56 am
about PSMAXN for supercell calculation

Last post by admin « Wed May 02, 2007 11:40 am
Replies: 1
by xffan » Wed May 02, 2007 8:34 am

1 Replies

7434 Views

Last post by admin
Wed May 02, 2007 11:40 am
Doubts about total drift

Last post by admin « Wed May 02, 2007 9:29 am
Replies: 1
by alberto.trj » Fri Apr 27, 2007 6:38 pm

1 Replies

4190 Views

Last post by admin
Wed May 02, 2007 9:29 am

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