Using VASP

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GW calculations of metals

Last post by jianghpku « Fri Aug 08, 2014 10:06 pm
Replies: 2
by jianghpku » Tue Aug 05, 2014 12:24 pm

2 Replies

2634 Views

Last post by jianghpku
Fri Aug 08, 2014 10:06 pm
Question about Negative Chemical shift value

Last post by admin « Wed Aug 06, 2014 2:19 pm
Replies: 1
by dbkyj » Wed Aug 06, 2014 1:19 am

1 Replies

2149 Views

Last post by admin
Wed Aug 06, 2014 2:19 pm
Unable to write PROCAR (vasp 5.3.5)

Last post by admin « Wed Aug 06, 2014 2:08 pm
Replies: 1
by tsmidt » Sun Aug 03, 2014 5:16 pm

1 Replies

2149 Views

Last post by admin
Wed Aug 06, 2014 2:08 pm
HIRSCHFELD-I CHARGE partition

Last post by Danny « Sat Aug 02, 2014 8:01 am
Replies: 4
by TLV » Sun Jun 15, 2014 12:37 pm

4 Replies

5188 Views

Last post by Danny
Sat Aug 02, 2014 8:01 am
bandstructure Problem

Last post by admin « Thu Jul 31, 2014 7:18 am
Replies: 1
by jyoti » Thu Jul 31, 2014 6:22 am

1 Replies

2023 Views

Last post by admin
Thu Jul 31, 2014 7:18 am
Does RWIGS affect CHGCAR?

Last post by admin « Tue Jul 29, 2014 8:41 am
Replies: 1
by murphy » Wed Jul 16, 2014 3:52 pm

1 Replies

1958 Views

Last post by admin
Tue Jul 29, 2014 8:41 am
Problem in symmetry fixing

Last post by admin « Tue Jul 29, 2014 8:36 am
Replies: 1
by sudhir » Thu Jul 17, 2014 6:37 pm

1 Replies

1969 Views

Last post by admin
Tue Jul 29, 2014 8:36 am
Does NBANDS affect CHGCAR

Last post by admin « Tue Jul 29, 2014 8:35 am
Replies: 1
by murphy » Fri Jul 25, 2014 10:09 am

1 Replies

2013 Views

Last post by admin
Tue Jul 29, 2014 8:35 am
symmetry problem

Last post by sudhir « Fri Jul 25, 2014 4:14 pm
Replies: 2
by sudhir » Thu Jul 24, 2014 5:43 pm

2 Replies

2167 Views

Last post by sudhir
Fri Jul 25, 2014 4:14 pm
Sum of projected DOS is much smaller than total DOS

Last post by alex « Fri Jul 25, 2014 6:55 am
Replies: 1
by tiechong » Thu Jul 24, 2014 10:07 pm

1 Replies

3585 Views

Last post by alex
Fri Jul 25, 2014 6:55 am
PSMAXN

Last post by admin « Mon Jul 21, 2014 8:04 am
Replies: 1
by farzaneh » Sat Jul 19, 2014 8:06 am

1 Replies

2669 Views

Last post by admin
Mon Jul 21, 2014 8:04 am
Quesitions about the energy cutoff convergence test

Last post by alex « Mon Jul 21, 2014 6:38 am
Replies: 4
by felixvasp » Fri Jul 11, 2014 6:20 am

4 Replies

5028 Views

Last post by alex
Mon Jul 21, 2014 6:38 am
MetaDynamics MD for transition

Last post by kmrana « Sat Jul 19, 2014 6:06 am
Replies: 9
by tanlx » Mon May 20, 2013 10:54 pm

9 Replies

6622 Views

Last post by kmrana
Sat Jul 19, 2014 6:06 am
restart for ibrion 5,6,7 or 8

Last post by admin « Thu Jul 17, 2014 12:11 pm
Replies: 1
by ovasp » Wed Jul 16, 2014 7:54 pm

1 Replies

2319 Views

Last post by admin
Thu Jul 17, 2014 12:11 pm
LOPTICS=true

Last post by user224 « Thu Jul 03, 2014 2:52 pm
Replies: 3
by giacomo giorgi » Tue Dec 06, 2011 5:48 am

3 Replies

4320 Views

Last post by user224
Thu Jul 03, 2014 2:52 pm
PBEsol

Last post by giacomo giorgi « Wed Jul 02, 2014 4:29 am
Replies: 1
by giacomo giorgi » Sun Jun 22, 2014 11:33 pm

1 Replies

3353 Views

Last post by giacomo giorgi
Wed Jul 02, 2014 4:29 am
TS-vdW correction; turn off ts-vdW interaction between specific atoms

Last post by stephan « Mon Jun 23, 2014 3:01 pm
Replies: 2
by ido » Thu Apr 24, 2014 1:49 pm

2 Replies

2614 Views

Last post by stephan
Mon Jun 23, 2014 3:01 pm
u,j parameters

Last post by karthik112490 « Fri Jun 20, 2014 1:12 am
Replies: 1
by Maximilian » Thu Jun 19, 2014 4:40 pm

1 Replies

1971 Views

Last post by karthik112490
Fri Jun 20, 2014 1:12 am
Job not running. need help in checking INCAR file.

Last post by kalpna « Tue Jun 17, 2014 4:34 am
Replies: 2
by kalpna » Mon Jun 16, 2014 2:57 am

2 Replies

2933 Views

Last post by kalpna
Tue Jun 17, 2014 4:34 am
VDW_RADIUS in INCAR file

Last post by lukasz.rzeznik « Mon Jun 16, 2014 4:03 pm
Replies: 5
by lukasz.rzeznik » Wed Jan 22, 2014 5:18 pm

5 Replies

4667 Views

Last post by lukasz.rzeznik
Mon Jun 16, 2014 4:03 pm

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