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How to calculate 4f DOS ?

Last post by nany « Wed Oct 01, 2008 11:05 am
Replies: 3
by shihongting » Tue Apr 08, 2008 10:09 am

3 Replies

5610 Views

Last post by nany
Wed Oct 01, 2008 11:05 am
non-conservation of electrons

Last post by admin « Wed Oct 01, 2008 9:32 am
Replies: 1
by ashwin » Sun Sep 21, 2008 5:03 pm

1 Replies

3713 Views

Last post by admin
Wed Oct 01, 2008 9:32 am
Fixed atoms move

Last post by admin « Wed Oct 01, 2008 9:25 am
Replies: 3
by hortophilus » Tue Sep 30, 2008 4:48 am

3 Replies

5690 Views

Last post by admin
Wed Oct 01, 2008 9:25 am
pseudo-hydrogens!

Last post by admin « Tue Sep 09, 2008 12:54 pm
Replies: 1
by alexandre » Fri Sep 05, 2008 11:11 am

1 Replies

3450 Views

Last post by admin
Tue Sep 09, 2008 12:54 pm
triple product of basis vectors

Last post by admin « Thu Sep 04, 2008 8:30 am
Replies: 1
by ccfisch » Wed Sep 03, 2008 11:45 pm

1 Replies

7503 Views

Last post by admin
Thu Sep 04, 2008 8:30 am
Error reading item "IMAGES" from file INCAR

Last post by admin « Mon Sep 01, 2008 2:18 pm
Replies: 1
by pnita » Sun Aug 31, 2008 12:41 am

1 Replies

6224 Views

Last post by admin
Mon Sep 01, 2008 2:18 pm
Question about eigenvalues

Last post by mrm « Sun Aug 24, 2008 7:27 pm
Replies: 2
by mrm » Sat Aug 16, 2008 5:44 pm

2 Replies

3937 Views

Last post by mrm
Sun Aug 24, 2008 7:27 pm
Explicit k-points for older VASP version

Last post by mrm « Wed Aug 13, 2008 8:31 pm
Replies: 2
by mrm » Thu Aug 07, 2008 11:27 pm

2 Replies

4247 Views

Last post by mrm
Wed Aug 13, 2008 8:31 pm
internal error in RAD_INT: RHOPS /= RHOAE

Last post by admin « Mon Aug 11, 2008 2:26 pm
Replies: 1
by asaaravindh » Fri Aug 08, 2008 12:55 pm

1 Replies

6376 Views

Last post by admin
Mon Aug 11, 2008 2:26 pm
Structure Changes

Last post by admin « Wed Aug 06, 2008 12:27 pm
Replies: 1
by nbalakr » Tue Jul 22, 2008 11:21 pm

1 Replies

3319 Views

Last post by admin
Wed Aug 06, 2008 12:27 pm
WARNING in EDDRMM: call to ZHEGV failed, returncode = 6 3 9

Last post by admin « Thu Jul 17, 2008 2:29 pm
Replies: 3
by tgakic » Tue Jun 28, 2005 7:42 am

3 Replies

49803 Views

Last post by admin
Thu Jul 17, 2008 2:29 pm
huh? no eigenvalues computed

Last post by mff7d « Wed Jul 16, 2008 7:00 pm
Replies: 2
by mff7d » Wed Jul 16, 2008 1:27 am

2 Replies

5493 Views

Last post by mff7d
Wed Jul 16, 2008 7:00 pm
Parallel Jobs: How to select select optimum number of c.p.u. s. ?

Last post by gpkmohan « Mon Jul 14, 2008 5:10 pm
Replies: 2
by gpkmohan » Mon Jul 14, 2008 2:25 pm

2 Replies

4363 Views

Last post by gpkmohan
Mon Jul 14, 2008 5:10 pm
To many tries required

Last post by admin « Mon Jul 14, 2008 1:23 pm
Replies: 1
by wipper » Fri Jul 11, 2008 7:04 pm

1 Replies

3841 Views

Last post by admin
Mon Jul 14, 2008 1:23 pm
Trusting the LDIPOL correction

Last post by david6477 « Tue Jul 01, 2008 12:25 am
Replies: 2
by david6477 » Fri Jun 27, 2008 1:03 am

2 Replies

5094 Views

Last post by david6477
Tue Jul 01, 2008 12:25 am
Problem With First Ionic Step

Last post by admin « Thu Jun 26, 2008 2:18 pm
Replies: 1
by Modey3 » Wed Jun 18, 2008 10:47 pm

1 Replies

4693 Views

Last post by admin
Thu Jun 26, 2008 2:18 pm
symlib error for group S_4

Last post by admin « Thu Jun 26, 2008 2:03 pm
Replies: 1
by widom » Wed Jun 25, 2008 9:08 pm

1 Replies

3125 Views

Last post by admin
Thu Jun 26, 2008 2:03 pm
About POTIM in different IBRION

Last post by admin « Wed Jun 18, 2008 10:26 am
Replies: 1
by cwandtj » Wed Jun 18, 2008 1:25 am

1 Replies

5928 Views

Last post by admin
Wed Jun 18, 2008 10:26 am
Very slow self-consistency on the first ionic relaxation step

Last post by cwandtj « Wed Jun 18, 2008 1:30 am
Replies: 2
by lanli » Sat Jun 07, 2008 5:31 am

2 Replies

4200 Views

Last post by cwandtj
Wed Jun 18, 2008 1:30 am
DIPOL tag meaning

Last post by admin « Fri Jun 06, 2008 5:27 pm
Replies: 1
by david6477 » Thu Jun 05, 2008 12:22 am

1 Replies

4912 Views

Last post by admin
Fri Jun 06, 2008 5:27 pm

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