Using VASP

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OUTCAR: what is "total charge" and "magnetization (x)" ?

Last post by lahaye « Tue Nov 21, 2006 9:06 am
Replies: 6
by lahaye » Fri Nov 17, 2006 3:04 am

6 Replies

21889 Views

Last post by lahaye
Tue Nov 21, 2006 9:06 am
about "ALGO"

Last post by admin « Tue Nov 21, 2006 8:38 am
Replies: 1
by Piney » Tue Nov 21, 2006 2:03 am

1 Replies

6695 Views

Last post by admin
Tue Nov 21, 2006 8:38 am
question on DOS

Last post by admin « Tue Nov 21, 2006 8:35 am
Replies: 1
by aakbarz » Mon Nov 20, 2006 8:29 pm

1 Replies

5529 Views

Last post by admin
Tue Nov 21, 2006 8:35 am
external electric field problem!

Last post by zhongchangwang « Sat Nov 18, 2006 4:18 am
Replies: 2
by zhongchangwang » Fri Nov 10, 2006 4:49 am

2 Replies

7040 Views

Last post by zhongchangwang
Sat Nov 18, 2006 4:18 am
planewave cutoff convergence problem for charged supercell

Last post by jdasilva « Fri Nov 17, 2006 7:53 pm
Replies: 2
by peterklaver » Fri Nov 17, 2006 10:25 am

2 Replies

6993 Views

Last post by jdasilva
Fri Nov 17, 2006 7:53 pm
How can I calculate the cohesive energy?

Last post by jdasilva « Fri Nov 17, 2006 7:45 pm
Replies: 2
by chiho80 » Fri Nov 17, 2006 12:41 am

2 Replies

9137 Views

Last post by jdasilva
Fri Nov 17, 2006 7:45 pm
Impurities in the bulk.

Last post by yilmaz « Thu Nov 16, 2006 3:51 pm
Replies: 2
by yilmaz » Wed Nov 15, 2006 7:46 pm

2 Replies

6375 Views

Last post by yilmaz
Thu Nov 16, 2006 3:51 pm
Relaxation problem

Last post by tjf « Thu Nov 16, 2006 11:35 am
Replies: 4
by Tian » Thu Nov 02, 2006 12:29 am

4 Replies

9043 Views

Last post by tjf
Thu Nov 16, 2006 11:35 am
Projected band structures

Last post by admin « Thu Nov 16, 2006 10:45 am
Replies: 1
by bth20 » Thu Nov 16, 2006 10:18 am

1 Replies

6400 Views

Last post by admin
Thu Nov 16, 2006 10:45 am
about the fermi energy

Last post by admin « Thu Nov 16, 2006 10:04 am
Replies: 1
by lanjh » Thu Nov 16, 2006 8:12 am

1 Replies

6154 Views

Last post by admin
Thu Nov 16, 2006 10:04 am
total energy of charged cluster

Last post by jialy_25 « Thu Nov 16, 2006 3:53 am
Replies: 2
by jialy_25 » Fri Nov 10, 2006 8:38 am

2 Replies

6689 Views

Last post by jialy_25
Thu Nov 16, 2006 3:53 am
LMAXPAW (What does "LMAXPAW = -100" means???))

Last post by jdasilva « Wed Nov 15, 2006 10:46 pm
Replies: 2
by jdasilva » Mon Oct 30, 2006 7:52 pm

2 Replies

7223 Views

Last post by jdasilva
Wed Nov 15, 2006 10:46 pm
FFT mesh

Last post by admin « Wed Nov 15, 2006 4:13 pm
Replies: 2
by mssb2 » Fri Oct 27, 2006 9:01 am

2 Replies

6212 Views

Last post by admin
Wed Nov 15, 2006 4:13 pm
a little off-topic--about the cluster nodes assignment

Last post by admin « Wed Nov 15, 2006 3:33 pm
Replies: 1
by dido » Tue Nov 14, 2006 2:42 pm

1 Replies

5404 Views

Last post by admin
Wed Nov 15, 2006 3:33 pm
magnetic moment optimization

Last post by bandy « Wed Nov 15, 2006 1:38 pm
Replies: 2
by mssb2 » Fri Oct 27, 2006 9:46 am

2 Replies

6790 Views

Last post by bandy
Wed Nov 15, 2006 1:38 pm
Young modulus ?

Last post by admin « Wed Nov 15, 2006 12:59 pm
Replies: 1
by tfujita » Wed Nov 08, 2006 4:50 am

1 Replies

5857 Views

Last post by admin
Wed Nov 15, 2006 12:59 pm
magnetization and magnetic moment.

Last post by admin « Wed Nov 15, 2006 12:56 pm
Replies: 1
by Gilles » Fri Nov 03, 2006 3:48 pm

1 Replies

6649 Views

Last post by admin
Wed Nov 15, 2006 12:56 pm
add alpha+bet to get absolut eigen values (Band offset)

Last post by jdasilva « Tue Nov 14, 2006 7:23 pm
Replies: 2
by jdasilva » Sat Nov 04, 2006 4:33 am

2 Replies

7020 Views

Last post by jdasilva
Tue Nov 14, 2006 7:23 pm
DOSCAR file for LORBIT=11

Last post by admin « Tue Nov 14, 2006 3:06 pm
Replies: 1
by brocks » Thu Nov 09, 2006 2:36 pm

1 Replies

9897 Views

Last post by admin
Tue Nov 14, 2006 3:06 pm
About local magnetic moment and total charge of ions

Last post by admin « Tue Nov 14, 2006 3:04 pm
Replies: 1
by lunmei » Wed Nov 08, 2006 5:58 pm

1 Replies

5567 Views

Last post by admin
Tue Nov 14, 2006 3:04 pm

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