Using VASP

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temperature

Last post by support_vasp « Thu Sep 12, 2024 7:51 am
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by rrpalanichamy » Wed Nov 09, 2016 1:43 pm

1 Replies

1600 Views

Last post by support_vasp
Thu Sep 12, 2024 7:51 am
Constrained MD using andersen thermostat at 300K

Last post by support_vasp « Thu Sep 12, 2024 7:51 am
Replies: 1
by sutapa.dutta » Wed Feb 11, 2015 11:32 am

1 Replies

1393 Views

Last post by support_vasp
Thu Sep 12, 2024 7:51 am
scaling behavior of VASP on Blue Gene/Q machine

Last post by support_vasp « Thu Sep 12, 2024 7:51 am
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by haa » Tue Feb 10, 2015 5:30 pm

1 Replies

1324 Views

Last post by support_vasp
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kinetic and potential energy of eigenstate?

Last post by support_vasp « Thu Sep 12, 2024 7:51 am
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by nwan » Thu Dec 24, 2015 9:47 am

1 Replies

1425 Views

Last post by support_vasp
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Speeding up MD runs

Last post by support_vasp « Thu Sep 12, 2024 7:51 am
Replies: 1
by suddhasattwa » Sat Dec 19, 2015 8:25 am

1 Replies

1602 Views

Last post by support_vasp
Thu Sep 12, 2024 7:51 am
questions on regular,soft, and hard potentials

Last post by support_vasp « Thu Sep 12, 2024 7:51 am
Replies: 1
by luke419 » Wed Dec 16, 2015 7:18 am

1 Replies

1480 Views

Last post by support_vasp
Thu Sep 12, 2024 7:51 am
Charged System Calculations: Changing NELECT

Last post by support_vasp « Thu Sep 12, 2024 7:50 am
Replies: 1
by mishralu » Mon Nov 30, 2015 1:50 pm

1 Replies

1455 Views

Last post by support_vasp
Thu Sep 12, 2024 7:50 am
TOTEN in the EXX step (EXX+RPA calculation)

Last post by support_vasp « Thu Sep 12, 2024 7:50 am
Replies: 1
by chenhuang » Wed Nov 25, 2015 7:38 pm

1 Replies

1754 Views

Last post by support_vasp
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Interpolation of k-mesh for GW-BSE calculations

Last post by support_vasp « Thu Sep 12, 2024 7:50 am
Replies: 1
by huangj3 » Wed Oct 28, 2015 6:54 pm

1 Replies

1564 Views

Last post by support_vasp
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G0W0 calculations for 2D single-layer materials

Last post by support_vasp « Thu Sep 12, 2024 7:50 am
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by huangj3 » Wed Oct 28, 2015 6:49 pm

1 Replies

1584 Views

Last post by support_vasp
Thu Sep 12, 2024 7:50 am
Optical Dielectric Tensor with HSE

Last post by support_vasp « Thu Sep 12, 2024 7:50 am
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by Eugene » Tue Oct 20, 2015 10:33 pm

1 Replies

1909 Views

Last post by support_vasp
Thu Sep 12, 2024 7:50 am
NEB calculation and parallelization

Last post by support_vasp « Thu Sep 12, 2024 7:50 am
Replies: 1
by gVallverdu » Wed Jun 04, 2014 4:02 pm

1 Replies

1193 Views

Last post by support_vasp
Thu Sep 12, 2024 7:50 am
How to "epsilon_diag_mic" part in vasprun.xml

Last post by support_vasp « Thu Sep 12, 2024 7:49 am
Replies: 1
by nwan » Tue Nov 11, 2014 4:42 pm

1 Replies

1261 Views

Last post by support_vasp
Thu Sep 12, 2024 7:49 am
segmentation fault

Last post by support_vasp « Thu Sep 12, 2024 7:49 am
Replies: 1
by captaincook » Wed Nov 07, 2012 2:43 pm

1 Replies

1437 Views

Last post by support_vasp
Thu Sep 12, 2024 7:49 am
layer

Last post by support_vasp « Thu Sep 12, 2024 7:49 am
Replies: 1
by jyoti » Wed Jul 31, 2013 7:26 am

1 Replies

1077 Views

Last post by support_vasp
Thu Sep 12, 2024 7:49 am
effective forces on the unit-cell vectors

Last post by support_vasp « Thu Sep 12, 2024 7:49 am
Replies: 1
by reimers » Sun Jul 27, 2014 10:59 am

1 Replies

1151 Views

Last post by support_vasp
Thu Sep 12, 2024 7:49 am
DOS and HSE06

Last post by support_vasp « Thu Sep 12, 2024 7:49 am
Replies: 1
by mariafio » Tue Jul 24, 2012 12:46 pm

1 Replies

1465 Views

Last post by support_vasp
Thu Sep 12, 2024 7:49 am
RDF problem from MD output

Last post by support_vasp « Thu Sep 12, 2024 7:49 am
Replies: 1
by s9811016 » Thu Sep 13, 2012 10:03 am

1 Replies

1809 Views

Last post by support_vasp
Thu Sep 12, 2024 7:49 am
Incorrect dipole moment

Last post by support_vasp « Thu Sep 12, 2024 7:48 am
Replies: 1
by amul1umt » Tue Jan 15, 2013 5:25 pm

1 Replies

1287 Views

Last post by support_vasp
Thu Sep 12, 2024 7:48 am
vdW parameters for Cerium

Last post by support_vasp « Thu Sep 12, 2024 7:48 am
Replies: 1
by siddarth1753 » Fri Mar 01, 2013 9:09 pm

1 Replies

1131 Views

Last post by support_vasp
Thu Sep 12, 2024 7:48 am

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