..
check-cp.x.j
Script modified so that it can download pseudopotentials from the web
2011-01-20 16:36:26 +00:00
h2o-mt-blyp.in1
variables nelec, nelup and neldw removed from input
2009-09-18 13:30:27 +00:00
h2o-mt-blyp.in2
variables nelec, nelup and neldw removed from input
2009-09-18 13:30:27 +00:00
h2o-mt-blyp.in3
variables nelec, nelup and neldw removed from input
2009-09-18 13:30:27 +00:00
h2o-mt-blyp.in4
variables nelec, nelup and neldw removed from input
2009-09-18 13:30:27 +00:00
h2o-mt-blyp.ref1
Reference data updated, wall time properly printed
2010-08-30 11:50:20 +00:00
h2o-mt-blyp.ref2
Reference data updated, wall time properly printed
2010-08-30 11:50:20 +00:00
h2o-mt-blyp.ref3
Reference data updated, wall time properly printed
2010-08-30 11:50:20 +00:00
h2o-mt-blyp.ref4
Reference data updated, wall time properly printed
2010-08-30 11:50:20 +00:00
o2-us-para-pbe.in1
variables nelec, nelup and neldw removed from input
2009-09-18 13:30:27 +00:00
o2-us-para-pbe.in2
variables nelec, nelup and neldw removed from input
2009-09-18 13:30:27 +00:00
o2-us-para-pbe.in3
variables nelec, nelup and neldw removed from input
2009-09-18 13:30:27 +00:00
o2-us-para-pbe.in4
variables nelec, nelup and neldw removed from input
2009-09-18 13:30:27 +00:00
o2-us-para-pbe.in5
variables nelec, nelup and neldw removed from input
2009-09-18 13:30:27 +00:00
o2-us-para-pbe.in6
variables nelec, nelup and neldw removed from input
2009-09-18 13:30:27 +00:00
o2-us-para-pbe.ref1
Reference data updated, wall time properly printed
2010-08-30 11:50:20 +00:00
o2-us-para-pbe.ref2
Reference data updated, wall time properly printed
2010-08-30 11:50:20 +00:00
o2-us-para-pbe.ref3
Reference data updated, wall time properly printed
2010-08-30 11:50:20 +00:00
o2-us-para-pbe.ref4
Reference data updated, wall time properly printed
2010-08-30 11:50:20 +00:00
o2-us-para-pbe.ref5
Reference data updated, wall time properly printed
2010-08-30 11:50:20 +00:00
o2-us-para-pbe.ref6
Reference data updated, wall time properly printed
2010-08-30 11:50:20 +00:00
si-vbc-lda.in1
variables nelec, nelup and neldw removed from input
2009-09-18 13:30:27 +00:00
si-vbc-lda.in2
variables nelec, nelup and neldw removed from input
2009-09-18 13:30:27 +00:00
si-vbc-lda.in3
variables nelec, nelup and neldw removed from input
2009-09-18 13:30:27 +00:00
si-vbc-lda.ref1
Reference data updated, wall time properly printed
2010-08-30 11:50:20 +00:00
si-vbc-lda.ref2
Reference data updated, wall time properly printed
2010-08-30 11:50:20 +00:00
si-vbc-lda.ref3
Reference data updated, wall time properly printed
2010-08-30 11:50:20 +00:00
sio2-us-lda.in1
Si PP that cannot be downloaded from web replaced by one that can
2011-01-27 12:55:41 +00:00
sio2-us-lda.in2
Si PP that cannot be downloaded from web replaced by one that can
2011-01-27 12:55:41 +00:00
sio2-us-lda.in3
Si PP that cannot be downloaded from web replaced by one that can
2011-01-27 12:55:41 +00:00
sio2-us-lda.in4
Si PP that cannot be downloaded from web replaced by one that can
2011-01-27 12:55:41 +00:00
sio2-us-lda.ref1
Reference outputs updated to reflect different PPs. The new outputs were
2011-02-02 09:33:05 +00:00
sio2-us-lda.ref2
Reference outputs updated to reflect different PPs. The new outputs were
2011-02-02 09:33:05 +00:00
sio2-us-lda.ref3
Reference outputs updated to reflect different PPs. The new outputs were
2011-02-02 09:33:05 +00:00
sio2-us-lda.ref4
Reference outputs updated to reflect different PPs. The new outputs were
2011-02-02 09:33:05 +00:00