Using VASP

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How to extract the total energy from ACFDT-RPA calculations?

Last post by juhL « Wed Jul 15, 2015 12:52 pm
Replies: 6
by vaspGG » Sun Apr 26, 2015 11:22 am

6 Replies

3994 Views

Last post by juhL
Wed Jul 15, 2015 12:52 pm
Questions on Si band structure at Gamma point using HSE06

Last post by sunncepu « Tue Jul 07, 2015 8:54 am
Replies: 1
by sunncepu » Thu Jul 02, 2015 11:01 am

1 Replies

1645 Views

Last post by sunncepu
Tue Jul 07, 2015 8:54 am
Large value for SMASS with large value for Sigma

Last post by comorado « Tue Jun 16, 2015 8:36 pm
Replies: 2
by comorado » Thu Jun 11, 2015 10:42 pm

2 Replies

1855 Views

Last post by comorado
Tue Jun 16, 2015 8:36 pm
Magnetic moment constraints for the collinear case

Last post by tomic « Mon Jun 15, 2015 9:56 am
Replies: 4
by tomic » Thu Jun 11, 2015 3:18 pm

4 Replies

3135 Views

Last post by tomic
Mon Jun 15, 2015 9:56 am
EDDDAV Error in exact diagonalization (ALGO=Exact)

Last post by juhL « Fri Jun 12, 2015 1:54 pm
Replies: 2
by juhL » Fri Jun 12, 2015 1:04 pm

2 Replies

1938 Views

Last post by juhL
Fri Jun 12, 2015 1:54 pm
Parallel performance of VASP

Last post by suen « Thu Jun 11, 2015 4:35 pm
Replies: 2
by suen » Wed Jun 10, 2015 8:06 am

2 Replies

1593 Views

Last post by suen
Thu Jun 11, 2015 4:35 pm
Does anyone know that calculate piezoelectric constant at VA

Last post by maartendft « Wed Jun 10, 2015 8:40 pm
Replies: 3
by BERNA AKGENC » Sat Mar 21, 2015 11:52 pm

3 Replies

3342 Views

Last post by maartendft
Wed Jun 10, 2015 8:40 pm
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

2168 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

1951 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

6152 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

2179 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

1609 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

2990 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

1171 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

1141 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

4484 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

1704 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

1851 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

1118 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

1187 Views

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

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