Using VASP

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TOTAL-FORCE all zero

Last post by yingma « Fri Jun 05, 2015 4:03 pm
Replies: 2
by yingma » Thu Jun 04, 2015 4:36 am

2 Replies

2071 Views

Last post by yingma
Fri Jun 05, 2015 4:03 pm
The error in the calculating elastic constant

Last post by admin « Fri Jun 05, 2015 1:09 pm
Replies: 1
by VASP001 » Sun May 31, 2015 4:16 am

1 Replies

1898 Views

Last post by admin
Fri Jun 05, 2015 1:09 pm
GGA tag (INCAR) and LEXCH tag (POTCAR)

Last post by suresh0807 « Tue Jun 02, 2015 3:29 pm
Replies: 2
by suresh0807 » Tue May 05, 2015 5:17 pm

2 Replies

6093 Views

Last post by suresh0807
Tue Jun 02, 2015 3:29 pm
van der Waals correction

Last post by Bmodak « Mon Jun 01, 2015 2:54 pm
Replies: 2
by Bmodak » Wed May 27, 2015 8:54 am

2 Replies

2135 Views

Last post by Bmodak
Mon Jun 01, 2015 2:54 pm
How to align the HSE and PBE average potentials

Last post by eariel99 « Thu May 21, 2015 5:13 pm

by eariel99 » Thu May 21, 2015 5:13 pm

0 Replies

1553 Views

Last post by eariel99
Thu May 21, 2015 5:13 pm
How to Calculate Inverse Participation Ratio

Last post by aruth « Mon May 18, 2015 10:15 pm

by aruth » Mon May 18, 2015 10:15 pm

0 Replies

2881 Views

Last post by aruth
Mon May 18, 2015 10:15 pm
what is wrong with vaspwiki and example page link

Last post by M Dave « Mon May 18, 2015 2:06 pm

by M Dave » Mon May 18, 2015 2:06 pm

0 Replies

1150 Views

Last post by M Dave
Mon May 18, 2015 2:06 pm
mix the charge density and density matrix separately

Last post by umklapp_sai « Thu May 14, 2015 10:20 pm

by umklapp_sai » Thu May 14, 2015 10:20 pm

0 Replies

1086 Views

Last post by umklapp_sai
Thu May 14, 2015 10:20 pm
GGA tag confusion RPBE or revPBE

Last post by suresh0807 « Tue May 12, 2015 1:11 pm
Replies: 2
by suresh0807 » Fri May 08, 2015 4:29 pm

2 Replies

4401 Views

Last post by suresh0807
Tue May 12, 2015 1:11 pm
restart for elastic tensor calculations

Last post by alex « Mon May 11, 2015 4:19 pm
Replies: 2
by gdezano » Mon May 11, 2015 9:12 am

2 Replies

1654 Views

Last post by alex
Mon May 11, 2015 4:19 pm
LDAU and LSORBIT

Last post by Neutrino « Mon May 11, 2015 3:30 pm
Replies: 2
by leegeunsik » Sun May 10, 2015 5:23 pm

2 Replies

1809 Views

Last post by Neutrino
Mon May 11, 2015 3:30 pm
LOCPOT, nonlocal part

Last post by alpha « Sun May 03, 2015 11:55 pm

by alpha » Sun May 03, 2015 11:55 pm

0 Replies

1081 Views

Last post by alpha
Sun May 03, 2015 11:55 pm
Fermi energy for one composite system

Last post by vaspfonda « Wed Apr 29, 2015 7:03 am

by vaspfonda » Wed Apr 29, 2015 7:03 am

0 Replies

1153 Views

Last post by vaspfonda
Wed Apr 29, 2015 7:03 am
Dipole transition matrix elements from LOPTICS

Last post by 5-1669 « Tue Apr 28, 2015 7:03 am
Replies: 2
by ssharifz » Wed Jun 04, 2014 9:23 pm

2 Replies

4551 Views

Last post by 5-1669
Tue Apr 28, 2015 7:03 am
BLYP functional

Last post by Neutrino « Tue Apr 28, 2015 2:57 am
Replies: 9
by Neutrino » Thu Mar 05, 2015 4:47 am

9 Replies

5852 Views

Last post by Neutrino
Tue Apr 28, 2015 2:57 am
Converging defect supercells containing Europium 3+

Last post by mbkumar « Wed Apr 22, 2015 5:57 pm
Replies: 4
by mbkumar » Mon Apr 20, 2015 8:27 pm

4 Replies

3519 Views

Last post by mbkumar
Wed Apr 22, 2015 5:57 pm
PROCAR entries

Last post by admin « Mon Apr 20, 2015 12:24 pm
Replies: 1
by alpha » Mon Apr 13, 2015 7:55 pm

1 Replies

1568 Views

Last post by admin
Mon Apr 20, 2015 12:24 pm
How to Use HSE method??????

Last post by ANJI BABU « Sun Apr 19, 2015 9:41 pm
Replies: 5
by ANJI BABU » Tue Mar 10, 2015 1:21 pm

5 Replies

3034 Views

Last post by ANJI BABU
Sun Apr 19, 2015 9:41 pm
Ground state energy in GW calculation

Last post by vaspGG « Fri Apr 17, 2015 8:46 am
Replies: 2
by vaspGG » Fri Apr 03, 2015 9:44 am

2 Replies

1637 Views

Last post by vaspGG
Fri Apr 17, 2015 8:46 am
self consistent c parameter for MBJ

Last post by psriv « Fri Apr 17, 2015 5:58 am
Replies: 2
by psriv » Wed Mar 04, 2015 9:34 am

2 Replies

6041 Views

Last post by psriv
Fri Apr 17, 2015 5:58 am

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