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quantum-espresso/TDDFPT/Examples/CH4-ENVIRON
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Oliviero Andreussi d019f73610 updated TDDFPT examples with Environ 2018-06-29 17:00:16 -05:00
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reference updated TDDFPT examples with Environ 2018-06-29 17:00:16 -05:00
CH4.pw-in Improved the example of using TDDFPT (Lanczos) + Environ. 2016-09-21 13:36:43 +00:00
CH4.tddfpt-in Improved the example of using TDDFPT (Lanczos) + Environ. 2016-09-21 13:36:43 +00:00
CH4.tddfpt_pp-in Improved the example of using TDDFPT (Lanczos) + Environ. 2016-09-21 13:36:43 +00:00
Makefile make.sys => make.inc. All other codes using make.sys should modify their build 2016-06-25 07:26:50 +00:00
README Improved the example of using TDDFPT (Lanczos) + Environ. 2016-09-21 13:36:43 +00:00
environ.in updated TDDFPT examples with Environ 2018-06-29 17:00:16 -05:00

README 

In order to run this example using the Environ module, 
you must modify the TDDFPT/Examples/make.inc : 
you must use the -environ option with pw.x and turbo_lanczos.x

Replace $(PWSCF) by $(PWSCF) -environ
Replace $(TDDFPT_LANCZOS) by $(TDDFPT_LANCZOS) -environ